<?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-MILES</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">GMALLOCI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">NEW-compound opt 6-31G**</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">12-Nov-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">23</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">23</scalar>
               </parameter>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(6D, 7F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#N</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">B3LYP/6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCF(Conver=8)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=(PCM,Solvent=Water)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Opt(Tight)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">NoSymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Int=UltraFine</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq=NoRaman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCF=XQC</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol" formalCharge="1" id="zmat" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="2.5102" y3="-0.0004" z3="-0.2001"/>
                  <atom elementType="O" id="a2" x3="2.9064" y3="-1.2609" z3="-0.8124"/>
                  <atom elementType="O" id="a3" x3="2.9103" y3="1.2586" z3="-0.8129"/>
                  <atom elementType="N" id="a4" x3="3.0125" y3="0.0008" z3="1.4331"/>
                  <atom elementType="N" id="a5" x3="-4.1799" y3="-0.0010" z3="-0.8487"/>
                  <atom elementType="C" id="a6" x3="0.7742" y3="0.0002" z3="-0.0143"/>
                  <atom elementType="C" id="a7" x3="-1.9998" y3="0.0006" z3="0.2817"/>
                  <atom elementType="C" id="a8" x3="0.0807" y3="1.2082" z3="0.0588"/>
                  <atom elementType="C" id="a9" x3="0.0807" y3="-1.2076" z3="0.0605"/>
                  <atom elementType="C" id="a10" x3="-1.3063" y3="1.2085" z3="0.2070"/>
                  <atom elementType="C" id="a11" x3="-1.3063" y3="-1.2075" z3="0.2085"/>
                  <atom elementType="C" id="a12" x3="-3.4828" y3="0.0006" z3="0.4387"/>
                  <atom elementType="H" id="a13" x3="0.6012" y3="2.1605" z3="0.0087"/>
                  <atom elementType="H" id="a14" x3="0.6009" y3="-2.1602" z3="0.0118"/>
                  <atom elementType="H" id="a15" x3="-1.8349" y3="2.1564" z3="0.2626"/>
                  <atom elementType="H" id="a16" x3="-1.8351" y3="-2.1554" z3="0.2654"/>
                  <atom elementType="H" id="a17" x3="-3.8036" y3="-0.8725" z3="1.0193"/>
                  <atom elementType="H" id="a18" x3="-3.8038" y3="0.8749" z3="1.0173"/>
                  <atom elementType="H" id="a19" x3="3.4341" y3="-0.8599" z3="1.8028"/>
                  <atom elementType="H" id="a20" x3="3.4347" y3="0.8619" z3="1.8014"/>
                  <atom elementType="H" id="a21" x3="-3.9033" y3="-0.8186" z3="-1.3907"/>
                  <atom elementType="H" id="a22" x3="-3.9035" y3="0.8155" z3="-1.3926"/>
                  <atom elementType="H" id="a23" x3="-5.17703" y3="-0.0014" z3="-1.00942"/>
               </atomArray>
               <bondArray/>
               <formula concise="C7H11N2O2S"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">176.15209999999996</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
            <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5102,-.0004,-.2001;2.9064,-1.2609,-.8124;2.9103,1.2586,-.8129;3.0125,.0008,1.4331;-4.1799,-.001,-.8487;.7742,.0002,-.0143;-1.9998,.0006,.2817;.0807,1.2082,.0588;.0807,-1.2076,.0605;-1.3063,1.2085,.207;-1.3063,-1.2075,.2085;-3.4828,.0006,.4387;.6012,2.1605,.0087;.6009,-2.1602,.0118;-1.8349,2.1564,.2626;-1.8351,-2.1554,.2654;-3.8036,-.8725,1.0193;-3.8038,.8749,1.0173;3.4341,-.8599,1.8028;3.4347,.8619,1.8014;-3.9033,-.8186,-1.3907;-3.9035,.8155,-1.3926;-5.177,-.0014,-1.0094;</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=48</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=64Gb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Chk=mol</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,8=3,13=1,38=5,53=1/2,8</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,8=3,13=1,38=5,53=1/2,8</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">NEW-compound opt 6-31G**</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="23">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="23">1 1 1 1 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 10 11 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="23">2 3 4 6 19 20 12 21 22 23 8 9 10 11 12 10 13 11 14 15 16 17 18</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="23">1.4563 1.4563 1.7087 1.7459 1.0272 1.0273 1.464 1.0192 1.0193 1.01 1.3948 1.3947 1.3948 1.3949 1.4913 1.3949 1.0864 1.3949 1.0865 1.0867 1.0869 1.0965 1.0965</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="23">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="39">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">2 2 2 3 3 4 1 1 19 12 12 12 21 21 22 1 1 8 10 10 11 6 6 10 6 6 11 7 7 8 7 7 9 5 5 5 7 7 17</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">1 1 1 1 1 1 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="39">3 4 6 4 6 6 19 20 20 21 22 23 22 23 23 8 9 9 11 12 12 10 13 13 11 14 14 8 15 15 9 16 16 7 17 18 17 18 18</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="39">119.778 108.8147 108.3947 108.7136 108.5221 100.9866 117.649 117.6497 113.8667 109.8338 109.831 127.5909 106.5739 100.5441 100.5518 120.0162 119.9874 119.9964 120.0005 120.0046 119.9949 120.0088 121.233 118.757 120.0029 121.251 118.745 119.9923 120.7148 119.2929 119.999 120.709 119.292 112.3914 108.9926 108.9965 110.2848 110.2849 105.6557</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="51">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="51">2 2 3 3 6 6 2 2 3 3 4 4 21 21 21 22 22 22 23 23 23 1 1 9 9 1 1 8 8 11 11 12 12 10 10 12 12 10 10 10 11 11 11 6 6 13 13 6 6 14 14</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="51">1 1 1 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 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 9 9 9 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="51">4 4 4 4 4 4 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 10 10 10 10 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="51">19 20 19 20 19 20 8 9 8 9 8 9 7 17 18 7 17 18 7 17 18 10 13 10 13 11 14 11 14 8 15 8 15 9 16 9 16 5 17 18 5 17 18 7 15 7 15 7 16 7 16</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="51">-5.04 137.1561 -137.059 5.1371 108.8977 -108.9062 -155.738 24.2362 -24.1793 155.7949 90.0082 -90.0176 58.4481 -64.1231 -178.9778 -58.4518 178.9771 64.1223 179.9938 57.4226 -57.4321 179.9883 -0.3983 0.0142 179.6276 -179.9789 0.4 -0.0047 -179.6258 0.0142 179.9892 -179.9357 0.0393 -0.0047 -179.9954 179.9451 -0.0455 90.0073 -148.1537 -31.8368 -89.9426 31.8965 148.2133 -0.0189 -179.9942 -179.6418 0.3828 0.0 179.9908 179.6306 -0.3787</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="51">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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">23</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 71 out of a maximum of 123</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="63">0.00040 0.00119 0.00158 0.00388 0.01390 0.01578 0.01896 0.02025 0.02095 0.02133 0.02175 0.02279 0.02355 0.02430 0.04759 0.04962 0.05578 0.05766 0.08182 0.10507 0.11357 0.12798 0.12968 0.14013 0.14388 0.15316 0.15624 0.15870 0.15939 0.16145 0.16542 0.17374 0.19127 0.19672 0.21655 0.22255 0.22790 0.23732 0.24666 0.25121 0.27188 0.28981 0.32942 0.34173 0.34247 0.34775 0.35215 0.35302 0.35387 0.35455 0.42228 0.43177 0.43324 0.43911 0.44386 0.44793 0.45675 0.46306 0.46596 0.48294 0.48405 0.77015 0.92281</array>
                  </module>
                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-3.26958135e-13</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="113">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 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 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</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="113">2.77785 2.78028 3.17603 3.39094 1.92566 1.92514 2.87400 1.93612 1.93555 1.93669 2.63395 2.63935 2.64549 2.65053 2.84780 2.63535 2.04734 2.62974 2.04839 2.05175 2.05181 2.05935 2.05917 2.08699 1.84171 1.90042 1.95297 1.87550 1.78210 1.90243 1.94381 1.92993 1.94660 1.94666 1.93958 1.87447 1.87648 1.87651 2.08236 2.07714 2.12360 2.08985 2.09819 2.09513 2.07531 2.09767 2.11021 2.07500 2.10470 2.10349 2.10103 2.09686 2.08528 2.10155 2.09556 2.08607 1.94031 1.84889 1.85004 1.95575 1.95789 1.90482 0.65010 2.78414 -1.64648 0.48755 2.63586 -1.51329 -2.48868 0.63943 -0.20444 2.92366 1.85259 -1.30249 1.04651 -1.08213 -3.10468 -1.04937 3.10517 1.08262 3.14013 1.01149 -1.01106 3.13340 -0.00805 0.00567 -3.13578 -3.13251 0.00886 -0.00474 3.13663 0.00561 -3.13100 -3.13028 0.01629 -0.00467 3.13264 3.13123 -0.01464 1.56387 -2.65405 -0.50427 -1.57200 0.49326 2.64304 -0.00605 3.13060 3.13539 -0.01114 0.00419 -3.13315 -3.13719 0.00867</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="113">-0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 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="113">0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 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 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -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="113">-0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="113">0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -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="113">2.77785 2.78028 3.17603 3.39094 1.92566 1.92514 2.87400 1.93612 1.93555 1.93669 2.63395 2.63935 2.64549 2.65053 2.84780 2.63535 2.04734 2.62974 2.04839 2.05175 2.05181 2.05935 2.05917 2.08699 1.84171 1.90042 1.95297 1.87550 1.78210 1.90243 1.94381 1.92993 1.94660 1.94666 1.93958 1.87447 1.87648 1.87651 2.08236 2.07714 2.12360 2.08985 2.09819 2.09513 2.07531 2.09767 2.11021 2.07500 2.10470 2.10349 2.10103 2.09686 2.08528 2.10155 2.09556 2.08607 1.94031 1.84889 1.85004 1.95575 1.95789 1.90482 0.65011 2.78414 -1.64648 0.48756 2.63587 -1.51328 -2.48864 0.63946 -0.20441 2.92369 1.85263 -1.30246 1.04651 -1.08213 -3.10468 -1.04937 3.10517 1.08262 3.14013 1.01149 -1.01107 3.13340 -0.00805 0.00567 -3.13578 -3.13251 0.00886 -0.00474 3.13663 0.00561 -3.13100 -3.13028 0.01629 -0.00467 3.13264 3.13123 -0.01464 1.56387 -2.65405 -0.50427 -1.57201 0.49326 2.64304 -0.00605 3.13060 3.13540 -0.01114 0.00419 -3.13314 -3.13719 0.00867</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 0.000079 0.000017</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000015 0.000010 0.000060 0.000040</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES NO YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-4.524160e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed on the basis of negligible forces.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="23">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="23">1 1 1 1 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 10 11 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="23">2 3 4 6 19 20 12 21 22 23 8 9 10 11 12 10 13 11 14 15 16 17 18</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="23">1.47 1.4713 1.6807 1.7944 1.019 1.0187 1.5209 1.0246 1.0242 1.0249 1.3938 1.3967 1.3999 1.4026 1.507 1.3946 1.0834 1.3916 1.084 1.0857 1.0858 1.0898 1.0897</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="23">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="39">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">2 2 2 3 3 4 1 1 19 12 12 12 21 21 22 1 1 8 10 10 11 6 6 10 6 6 11 7 7 8 7 7 9 5 5 5 7 7 17</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">1 1 1 1 1 1 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="39">3 4 6 4 6 6 19 20 20 21 22 23 22 23 23 8 9 9 11 12 12 10 13 13 11 14 14 8 15 15 9 16 16 7 17 18 17 18 18</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="39">119.5757 105.5225 108.8858 111.8972 107.4581 102.107 109.0012 111.372 110.5771 111.5321 111.5353 111.1297 107.3991 107.5145 107.5158 119.3105 119.0112 121.6736 119.7396 120.2176 120.0419 118.9066 120.1874 120.906 118.8886 120.5905 120.5209 120.3804 120.1413 119.4777 120.4098 120.0669 119.5228 111.1718 105.9334 105.9997 112.0563 112.1789 109.1382</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="50">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="50">2 2 3 3 6 6 2 2 3 3 4 4 21 21 21 22 22 22 23 23 23 1 1 9 9 1 1 8 8 11 11 12 12 10 10 12 12 10 10 10 11 11 11 6 6 13 13 6 6 14</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="50">1 1 1 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 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 9 9 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="50">4 4 4 4 4 4 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 10 10 10 10 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="50">19 20 19 20 19 20 8 9 8 9 8 9 7 17 18 7 17 18 7 17 18 10 13 10 13 11 14 11 14 8 15 8 15 9 16 9 16 5 17 18 5 17 18 7 15 7 15 7 16 7</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="50">37.2481 159.5193 -94.3365 27.9346 151.0238 -86.7051 -142.5906 36.6365 -11.7138 167.5132 106.1457 -74.6272 59.9608 -62.0015 -177.8852 -60.1243 177.9134 62.0296 179.9163 57.954 -57.9297 179.5306 -0.461 0.3249 -179.6667 -179.4799 0.5074 -0.2718 179.7155 0.3215 -179.3932 -179.3519 0.9334 -0.2675 179.487 179.4064 -0.8391 89.6032 -152.0658 -28.8926 -90.0692 28.2618 151.4351 -0.3466 179.3699 179.6449 -0.6385 0.2398 -179.516 -179.7475</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="50">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.5102" y3="-0.0004" z3="-0.2001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.9064" y3="-1.2609" z3="-0.8124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.9103" y3="1.2586" z3="-0.8129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.0125" y3="0.0008" z3="1.4331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.1799" y3="-0.0010" z3="-0.8487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.7742" y3="0.0002" z3="-0.0143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-1.9998" y3="0.0006" z3="0.2817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.0807" y3="1.2082" z3="0.0588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.0807" y3="-1.2076" z3="0.0605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.3063" y3="1.2085" z3="0.2070">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.3063" y3="-1.2075" z3="0.2085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.4828" y3="0.0006" z3="0.4387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.6012" y3="2.1605" z3="0.0087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.6009" y3="-2.1602" z3="0.0118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.8349" y3="2.1564" z3="0.2626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.8351" y3="-2.1554" z3="0.2654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.8036" y3="-0.8725" z3="1.0193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.8038" y3="0.8749" z3="1.0173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.4341" y3="-0.8599" z3="1.8028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.4347" y3="0.8619" z3="1.8014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.9033" y3="-0.8186" z3="-1.3907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.9035" y3="0.8155" z3="-1.3926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.17703" y3="-0.0014" z3="-1.00942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5102,-.0004,-.2001;2.9064,-1.2609,-.8124;2.9103,1.2586,-.8129;3.0125,.0008,1.4331;-4.1799,-.001,-.8487;.7742,.0002,-.0143;-1.9998,.0006,.2817;.0807,1.2082,.0588;.0807,-1.2076,.0605;-1.3063,1.2085,.207;-1.3063,-1.2075,.2085;-3.4828,.0006,.4387;.6012,2.1605,.0087;.6009,-2.1602,.0118;-1.8349,2.1564,.2626;-1.8351,-2.1554,.2654;-3.8036,-.8725,1.0193;-3.8038,.8749,1.0173;3.4341,-.8599,1.8028;3.4347,.8619,1.8014;-3.9033,-.8186,-1.3907;-3.9035,.8155,-1.3926;-5.177,-.0014,-1.0094;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2664767 0.3989117 0.3794610</array>
                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="g:alphaocc" size="44">-10.27404 -10.24190 -10.23367 -10.22473 -10.22471 -10.22134 -10.22133 -8.15656 -6.12162 -6.12108 -6.11942 -1.13173 -1.04034 -1.02206 -0.90259 -0.89172 -0.82262 -0.77744 -0.75136 -0.67834 -0.64518 -0.61162 -0.60872 -0.59899 -0.56178 -0.53990 -0.52688 -0.51308 -0.49874 -0.48099 -0.46516 -0.45766 -0.44881 -0.41971 -0.40215 -0.39380 -0.37223 -0.36704 -0.33688 -0.32944 -0.32077 -0.31133 -0.28074 -0.27257</array>
                  <array dataType="xsd:double" dictRef="g:alphavirt" size="190">-0.05868 -0.03307 0.03123 0.04919 0.06957 0.07188 0.08622 0.08669 0.09932 0.10967 0.11703 0.12563 0.13631 0.14543 0.14925 0.15389 0.16741 0.19148 0.20199 0.21196 0.27656 0.27960 0.30049 0.32126 0.33402 0.34615 0.40624 0.40851 0.45490 0.45906 0.49122 0.49805 0.52916 0.53775 0.53982 0.56655 0.57022 0.57399 0.58667 0.59574 0.60088 0.60902 0.64544 0.64898 0.66739 0.70136 0.72547 0.73851 0.75433 0.75501 0.76565 0.77903 0.78458 0.79259 0.79467 0.80441 0.81525 0.82212 0.82962 0.83743 0.84666 0.87219 0.87922 0.88614 0.89202 0.90540 0.92971 0.95288 0.96115 0.97672 1.00849 1.03186 1.03751 1.07589 1.07709 1.11433 1.13247 1.14870 1.15619 1.17350 1.18185 1.22196 1.22577 1.27930 1.30579 1.31765 1.37343 1.38087 1.38161 1.39592 1.40322 1.43601 1.44267 1.50183 1.52180 1.58332 1.63876 1.66387 1.69089 1.71877 1.75784 1.76001 1.77745 1.78966 1.79644 1.81451 1.81660 1.83840 1.86112 1.87007 1.89419 1.89886 1.91742 1.94035 1.96649 1.98751 2.01965 2.02678 2.04103 2.04707 2.05913 2.09145 2.10547 2.12449 2.12601 2.15007 2.15814 2.16772 2.20048 2.22044 2.25659 2.26173 2.26517 2.28642 2.29875 2.35219 2.36682 2.39147 2.39242 2.40558 2.42573 2.47114 2.47631 2.48891 2.54092 2.54832 2.55562 2.56900 2.59112 2.60533 2.62270 2.67845 2.70932 2.71344 2.74458 2.75813 2.77402 2.81500 2.83483 2.86201 2.86714 2.87121 2.89415 2.95068 3.03797 3.10893 3.17190 3.22232 3.22720 3.23880 3.26625 3.33706 3.36176 3.36679 3.45056 3.47763 3.50630 3.74957 3.79628 3.91333 3.99731 4.02317 4.09889 4.12995 4.14025 4.19624 4.40782 4.41495 4.53881 4.79228</array>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-21.3603 -0.0002 0.7319</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">21.3728</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">7.6776 -68.3238 -68.8931</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.0243 32.2600 -0.0038</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">50.8573 -25.1441 -25.7133 0.0243 32.2600 -0.0038</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-418.4575 0.0338 -1.0983 -40.1809 -0.0908 -17.0548 -32.8872 -0.0088 8.5354 -0.0134</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-1132.4128 -400.4418 -238.1752 0.3842 535.8432 0.1058 -0.0153 61.6761 -0.0008 -518.9960 -347.6990 -111.2002 0.1492 33.4394 0.0168</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.530647" y3="-0.000242" z3="-0.151727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.927333" y3="-1.271061" z3="-0.759114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.928034" y3="1.269899" z3="-0.76004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072817" y3="0.000428" z3="1.432376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185118" y3="-0.000983" z3="-0.902878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.759088" y3="0.000051" z3="0.015889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.018587" y3="0.000538" z3="0.289518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.071305" y3="1.214242" z3="0.079843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.071108" y3="-1.21395" z3="0.081616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.315379" y3="1.210458" z3="0.218695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.315571" y3="-1.209633" z3="0.220475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.521839" y3="0.000743" z3="0.435127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.606215" y3="2.15567" z3="0.025676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.605718" y3="-2.155604" z3="0.028864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.844123" y3="2.156978" z3="0.272218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.844513" y3="-2.155972" z3="0.275452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.873872" y3="-0.876348" z3="0.981695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.873879" y3="0.879197" z3="0.979474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.534541" y3="-0.853423" z3="1.72366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.53442" y3="0.8547" z3="1.722579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.912841" y3="-0.821217" z3="-1.458814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.912899" y3="0.817849" z3="-1.460894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.213034" y3="-0.001017" z3="-0.893212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5306,-.0002,-.1517;2.9273,-1.2711,-.7591;2.928,1.2699,-.76;3.0728,.0004,1.4324;-4.1851,-.001,-.9029;.7591,.0001,.0159;-2.0186,.0005,.2895;.0713,1.2142,.0798;.0711,-1.214,.0816;-1.3154,1.2105,.2187;-1.3156,-1.2096,.2205;-3.5218,.0007,.4351;.6062,2.1557,.0257;.6057,-2.1556,.0289;-1.8441,2.157,.2722;-1.8445,-2.156,.2755;-3.8739,-.8763,.9817;-3.8739,.8792,.9795;3.5345,-.8534,1.7237;3.5344,.8547,1.7226;-3.9128,-.8212,-1.4588;-3.9129,.8178,-1.4609;-5.213,-.001,-.8932;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2768533 0.3934029 0.3734665</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534264" y3="-0.000213" z3="-0.124153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.909219" y3="-1.278451" z3="-0.741611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.909341" y3="1.27742" z3="-0.742783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.084084" y3="0.000401" z3="1.443534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.18353" y3="-0.000954" z3="-0.932212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.747959" y3="0.000047" z3="0.033499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.019957" y3="0.000497" z3="0.298669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.067756" y3="1.217328" z3="0.094453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.067528" y3="-1.217033" z3="0.096328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.318289" y3="1.211293" z3="0.23083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.318509" y3="-1.210536" z3="0.232691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524239" y3="0.000728" z3="0.426247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611327" y3="2.152862" z3="0.033025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.610911" y3="-2.15277" z3="0.036347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.851729" y3="2.155524" z3="0.284216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.852101" y3="-2.154592" z3="0.287581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.89012" y3="-0.884737" z3="0.945494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.890029" y3="0.887501" z3="0.943303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.581086" y3="-0.850589" z3="1.67975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.580849" y3="0.851719" z3="1.679078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.920102" y3="-0.827187" z3="-1.480203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.920057" y3="0.823864" z3="-1.48228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.206092" y3="-0.00082" z3="-0.845322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5343,-.0002,-.1242;2.9092,-1.2785,-.7416;2.9093,1.2774,-.7428;3.0841,.0004,1.4435;-4.1835,-.001,-.9322;.748,0,.0335;-2.02,.0005,.2987;.0678,1.2173,.0945;.0675,-1.217,.0963;-1.3183,1.2113,.2308;-1.3185,-1.2105,.2327;-3.5242,.0007,.4262;.6113,2.1529,.033;.6109,-2.1528,.0363;-1.8517,2.1555,.2842;-1.8521,-2.1546,.2876;-3.8901,-.8847,.9455;-3.89,.8875,.9433;3.5811,-.8506,1.6798;3.5808,.8517,1.6791;-3.9201,-.8272,-1.4802;-3.9201,.8239,-1.4823;-5.2061,-.0008,-.8453;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.468243 0.000000 1.468241 2.555871 0.000000 1.661308 2.537892 2.537970 0.000000 6.766218 7.209398 7.209642 7.646070 0.000000 1.793249 2.628003 2.627902 2.728677 5.025155 0.000000 4.573806 5.197563 5.197415 5.230865 2.489200 2.780588 0.000000 2.759322 3.873219 2.962968 3.521245 4.540009 1.395767 2.425062 0.000000 2.759356 2.963296 3.873280 3.520898 4.539629 1.395785 2.425059 2.434361 0.000000 4.054124 5.001629 4.338796 4.724172 3.321417 2.403214 1.401059 1.392751 2.799169 0.000000 4.054143 4.339074 5.001618 4.723911 3.320908 2.403222 1.401065 2.799172 1.392744 2.421830 0.000000 6.083453 6.662550 6.662396 6.686166 1.509993 4.290213 1.509683 3.806919 3.806912 2.523860 2.523860 0.000000 2.891042 4.201699 2.578593 3.568914 5.344274 2.157146 3.409824 1.083728 3.414076 2.156177 3.882857 4.678591 0.000000 2.891115 2.579123 4.201907 3.568319 5.343696 2.157177 3.409815 3.414082 1.083728 3.882854 2.156158 4.678573 4.305633 0.000000 4.904172 5.959121 4.949099 5.509158 3.401086 3.386342 2.161632 2.144911 3.884969 1.085809 3.408422 2.731411 2.475833 4.968645 0.000000 4.904189 4.949447 5.959168 5.508734 3.400236 3.386346 2.161644 3.884970 2.144894 3.408424 1.085806 2.731424 4.968645 2.475793 4.310117 0.000000 6.572613 7.016577 7.331976 7.047769 2.095934 4.808987 2.167841 4.561549 4.061340 3.393877 2.688386 1.089741 5.506600 4.763795 3.719612 2.489760 0.000000 6.572598 7.332125 7.016150 7.048080 2.095961 4.808976 2.167834 4.061206 4.561654 2.688179 3.394031 1.089732 4.763607 5.506749 2.489366 3.719873 1.772240 0.000000 2.252342 2.549012 3.293680 1.013406 8.236109 3.385312 5.831245 4.374121 3.871253 5.509501 5.121482 7.265099 4.533419 3.635710 6.363938 5.758306 7.507278 7.705899 0.000000 2.252281 3.293698 2.549030 1.013410 8.235986 3.385047 5.830878 3.871244 4.373586 5.121354 5.508960 7.264712 3.636003 4.532775 5.758337 6.363263 7.705116 7.507108 1.702308 0.000000 6.646923 6.883951 7.184319 7.634904 1.025840 4.976585 2.731299 4.750009 4.305650 3.721889 3.138351 2.115821 5.630666 4.958546 4.035827 3.027159 2.426565 2.968912 8.139636 8.310478 0.000000 6.646944 7.183824 6.884275 7.635212 1.025825 4.976608 2.731317 4.306222 4.749536 3.139115 3.721285 2.115821 4.959418 5.629942 3.028498 4.034854 2.968889 2.426603 8.310798 8.139935 1.651052 0.000000 7.773879 8.215922 8.216122 8.600342 1.026247 6.018559 3.385288 5.493681 5.493355 4.212165 4.211749 2.108440 6.265158 6.264644 4.144566 4.143846 2.391676 2.391718 9.182189 9.182034 1.655212 1.655206 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2710515 0.3935507 0.3732921</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534573" y3="-0.000198" z3="-0.121887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.921396" y3="-1.278805" z3="-0.734667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.921607" y3="1.277806" z3="-0.735793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.088918" y3="0.000356" z3="1.4488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191167" y3="-0.001034" z3="-0.939137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.744069" y3="0.000082" z3="0.036924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023187" y3="0.000534" z3="0.299337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064958" y3="1.217648" z3="0.098649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064721" y3="-1.21727" z3="0.100472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321772" y3="1.211549" z3="0.232618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.321995" y3="-1.210718" z3="0.234488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.526092" y3="0.000764" z3="0.425532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.61035" y3="2.151939" z3="0.036584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609934" y3="-2.15176" z3="0.039798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856648" y3="2.154951" z3="0.287731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857026" y3="-2.153943" z3="0.291079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.893346" y3="-0.886622" z3="0.940333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893284" y3="0.889508" z3="0.938017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.602149" y3="-0.847617" z3="1.668388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.601948" y3="0.848578" z3="1.667903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.929234" y3="-0.827683" z3="-1.485233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.929195" y3="0.82412" z3="-1.487455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212108" y3="-0.000885" z3="-0.846001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5346,-.0002,-.1219;2.9214,-1.2788,-.7347;2.9216,1.2778,-.7358;3.0889,.0004,1.4488;-4.1912,-.001,-.9391;.7441,.0001,.0369;-2.0232,.0005,.2993;.065,1.2176,.0986;.0647,-1.2173,.1005;-1.3218,1.2115,.2326;-1.322,-1.2107,.2345;-3.5261,.0008,.4255;.6103,2.1519,.0366;.6099,-2.1518,.0398;-1.8566,2.155,.2877;-1.857,-2.1539,.2911;-3.8933,-.8866,.9403;-3.8933,.8895,.938;3.6021,-.8476,1.6684;3.6019,.8486,1.6679;-3.9292,-.8277,-1.4852;-3.9292,.8241,-1.4875;-5.2121,-.0009,-.846;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469683 0.000000 1.469684 2.556612 0.000000 1.665640 2.536108 2.536201 0.000000 6.775210 7.229319 7.229684 7.661715 0.000000 1.797533 2.640390 2.640330 2.737099 5.030830 0.000000 4.577184 5.211025 5.210941 5.239741 2.496788 2.779671 0.000000 2.762387 3.884062 2.976635 3.528320 4.547173 1.395518 2.425282 0.000000 2.762404 2.976884 3.884140 3.527941 4.546713 1.395528 2.425274 2.434919 0.000000 4.057758 5.014178 4.352985 4.732893 3.328181 2.402842 1.401068 1.393200 2.799820 0.000000 4.057768 4.353190 5.014215 4.732590 3.327593 2.402850 1.401074 2.799831 1.393192 2.422268 0.000000 6.085337 6.674838 6.674753 6.693686 1.518107 4.287807 1.508193 3.805693 3.805681 2.522348 2.522346 0.000000 2.891270 4.207823 2.588935 3.573088 5.351812 2.156008 3.410734 1.083607 3.413703 2.157744 3.883373 4.678567 0.000000 2.891297 2.589344 4.208004 3.572430 5.351122 2.156020 3.410727 3.413704 1.083609 3.883364 2.157733 4.678553 4.303701 0.000000 4.908694 5.972076 4.964746 5.518060 3.406383 3.386753 2.160875 2.146360 3.885692 1.085880 3.408286 2.728837 2.479751 4.969231 0.000000 4.908696 4.965011 5.972160 5.517580 3.405388 3.386755 2.160891 3.885702 2.146345 3.408292 1.085879 2.728850 4.969239 2.479725 4.308895 0.000000 6.575119 7.028523 7.344231 7.056719 2.098897 4.807079 2.166890 4.561201 4.059678 3.393549 2.686094 1.089656 5.507531 4.763514 3.718224 2.484800 0.000000 6.575128 7.344339 7.028168 7.057098 2.098929 4.807087 2.166898 4.059543 4.561337 2.685883 3.393734 1.089650 4.763301 5.507729 2.484371 3.718531 1.776132 0.000000 2.250093 2.534565 3.280342 1.015225 8.261456 3.398365 5.851331 4.386470 3.886952 5.526898 5.141508 7.285345 4.539931 3.647800 6.381230 5.779797 7.530871 7.728684 0.000000 2.250124 3.280435 2.534730 1.015227 8.261424 3.398163 5.851009 3.887039 4.385949 5.141480 5.526355 7.285000 3.648234 4.539263 5.779945 6.380531 7.727853 7.530797 1.696195 0.000000 6.657645 6.906373 7.206162 7.651709 1.024783 4.984167 2.739278 4.758743 4.314848 3.729388 3.146720 2.121290 5.639318 4.968193 4.041673 3.034518 2.426548 2.970215 8.165014 8.334916 0.000000 6.657670 7.205524 6.906831 7.652065 1.024773 4.984192 2.739303 4.315536 4.758167 3.147603 3.728692 2.121303 4.969233 5.638444 3.036091 4.040536 2.970199 2.426619 8.335178 8.165476 1.651804 0.000000 7.780450 8.234037 8.234349 8.612383 1.025180 6.021262 3.388364 5.497691 5.497302 4.215225 4.214751 2.111741 6.270137 6.269535 4.146333 4.145502 2.390534 2.390568 9.204902 9.204829 1.654684 1.654678 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2708534 0.3921245 0.3719902</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.533842" y3="-0.000178" z3="-0.121202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918622" y3="-1.279602" z3="-0.735596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.918943" y3="1.278675" z3="-0.736587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.082092" y3="0.000265" z3="1.458784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.193378" y3="-0.001169" z3="-0.942116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742554" y3="0.00013" z3="0.038528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.02266" y3="0.000608" z3="0.299315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065297" y3="1.218371" z3="0.099925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.065033" y3="-1.21788" z3="0.101671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321542" y3="1.212081" z3="0.233213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.321789" y3="-1.211114" z3="0.235031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524004" y3="0.000836" z3="0.427068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611719" y3="2.152138" z3="0.038072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.611255" y3="-2.151853" z3="0.041136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.857055" y3="2.155001" z3="0.289339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857474" y3="-2.15385" z3="0.292598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892606" y3="-0.887545" z3="0.939053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892593" y3="0.890673" z3="0.936516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.610194" y3="-0.843817" z3="1.66343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610013" y3="0.844532" z3="1.663126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.93158" y3="-0.82816" z3="-1.48676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.931597" y3="0.824195" z3="-1.489219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.213715" y3="-0.001037" z3="-0.848844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5338,-.0002,-.1212;2.9186,-1.2796,-.7356;2.9189,1.2787,-.7366;3.0821,.0003,1.4588;-4.1934,-.0012,-.9421;.7426,.0001,.0385;-2.0227,.0006,.2993;.0653,1.2184,.0999;.065,-1.2179,.1017;-1.3215,1.2121,.2332;-1.3218,-1.2111,.235;-3.524,.0008,.4271;.6117,2.1521,.0381;.6113,-2.1519,.0411;-1.8571,2.155,.2893;-1.8575,-2.1538,.2926;-3.8926,-.8875,.9391;-3.8926,.8907,.9365;3.6102,-.8438,1.6634;3.61,.8445,1.6631;-3.9316,-.8282,-1.4868;-3.9316,.8242,-1.4892;-5.2137,-.001,-.8488;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.470531 0.000000 1.470532 2.558277 0.000000 1.672403 2.545602 2.545703 0.000000 6.777123 7.228941 7.229478 7.661383 0.000000 1.798396 2.640503 2.640483 2.736890 5.032404 0.000000 4.575866 5.208287 5.208262 5.234775 2.500635 2.777484 0.000000 2.761789 3.883225 2.974338 3.525810 4.550762 1.395191 2.425339 0.000000 2.761791 2.974525 3.883332 3.525377 4.550159 1.395196 2.425333 2.436252 0.000000 4.056990 5.012591 4.350478 4.728902 3.331789 2.401503 1.401287 1.393243 2.800823 0.000000 4.056989 4.350620 5.012673 4.728549 3.331016 2.401507 1.401293 2.800832 1.393235 2.423196 0.000000 6.082607 6.670738 6.670722 6.686176 1.524051 4.284213 1.506770 3.804273 3.804253 2.521018 2.521003 0.000000 2.890050 4.206805 2.585792 3.570956 5.355974 2.155982 3.411347 1.083663 3.414665 2.158538 3.884419 4.677994 0.000000 2.890052 2.586132 4.206994 3.570207 5.355066 2.155987 3.411342 3.414665 1.083664 3.884412 2.158528 4.677968 4.303993 0.000000 4.908495 5.971104 4.962925 5.514133 3.409392 3.385903 2.160772 2.146762 3.886640 1.085828 3.408840 2.727291 2.481529 4.970227 0.000000 4.908482 4.963123 5.971231 5.513576 3.408079 3.385901 2.160791 3.886649 2.146747 3.408848 1.085828 2.727284 4.970235 2.481504 4.308852 0.000000 6.573492 7.025026 7.341490 7.050159 2.101172 4.804541 2.166743 4.561141 4.058724 3.393672 2.685041 1.089595 5.508210 4.763349 3.717886 2.482578 0.000000 6.573543 7.341574 7.024731 7.050662 2.101217 4.804585 2.166770 4.058591 4.561334 2.684817 3.393911 1.089590 4.763122 5.508477 2.482092 3.718261 1.778220 0.000000 2.248370 2.534464 3.277633 1.016487 8.270106 3.402339 5.856868 4.389016 3.891938 5.531207 5.147784 7.289637 4.539646 3.651908 6.385283 5.787120 7.537814 7.734900 0.000000 2.248445 3.277779 2.534696 1.016485 8.270151 3.402154 5.856551 3.892090 4.388458 5.147813 5.530624 7.289298 3.652451 4.538912 5.787352 6.384516 7.733929 7.537850 1.688348 0.000000 6.659729 6.906035 7.206329 7.652066 1.024250 4.985989 2.742425 4.762445 4.318322 3.732719 3.149957 2.125109 5.643479 4.972321 4.044432 3.037348 2.426853 2.971224 8.173266 8.342380 0.000000 6.659803 7.205513 6.906729 7.652544 1.024244 4.986058 2.742479 4.319249 4.761728 3.151130 3.731839 2.125137 4.973709 5.642371 3.039415 4.042970 2.971208 2.426960 8.342665 8.173957 1.652356 0.000000 7.781652 8.233010 8.233492 8.610782 1.024591 6.022006 3.391328 5.500462 5.499942 4.217999 4.217364 2.117328 6.273633 6.272826 4.148630 4.147511 2.393282 2.393328 9.213205 9.213205 1.653765 1.653757 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2644149 0.3922419 0.3722000</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532369" y3="-0.000158" z3="-0.12262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.919214" y3="-1.278982" z3="-0.7363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919627" y3="1.278165" z3="-0.737083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.075889" y3="0.000152" z3="1.463298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.192101" y3="-0.001303" z3="-0.941026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742393" y3="0.000175" z3="0.038218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022705" y3="0.000681" z3="0.299609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065141" y3="1.21835" z3="0.099475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064849" y3="-1.217759" z3="0.101151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321633" y3="1.212121" z3="0.233321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.321907" y3="-1.211022" z3="0.235064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523395" y3="0.000914" z3="0.428466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.6110" y3="2.152491" z3="0.038091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.610477" y3="-2.152119" z3="0.041035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.85711" y3="2.155086" z3="0.28881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857572" y3="-2.153801" z3="0.291966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892608" y3="-0.887127" z3="0.940667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892621" y3="0.890539" z3="0.937883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.610619" y3="-0.84207" z3="1.661283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.61042" y3="0.84254" z3="1.661109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.928912" y3="-0.828414" z3="-1.48496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.928994" y3="0.824047" z3="-1.487654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.21287" y3="-0.001205" z3="-0.853323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5324,-.0002,-.1226;2.9192,-1.279,-.7363;2.9196,1.2782,-.7371;3.0759,.0002,1.4633;-4.1921,-.0013,-.941;.7424,.0002,.0382;-2.0227,.0007,.2996;.0651,1.2184,.0995;.0648,-1.2178,.1012;-1.3216,1.2121,.2333;-1.3219,-1.211,.2351;-3.5234,.0009,.4285;.611,2.1525,.0381;.6105,-2.1521,.041;-1.8571,2.1551,.2888;-1.8576,-2.1538,.292;-3.8926,-.8871,.9407;-3.8926,.8905,.9379;3.6106,-.8421,1.6613;3.6104,.8425,1.6611;-3.9289,-.8284,-1.485;-3.929,.824,-1.4877;-5.2129,-.0012,-.8533;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.470253 0.000000 1.470253 2.557147 0.000000 1.676470 2.549306 2.549395 0.000000 6.774089 7.228082 7.228782 7.655355 0.000000 1.797187 2.640960 2.640965 2.734238 5.030721 0.000000 4.574601 5.208955 5.208967 5.229707 2.499091 2.777426 0.000000 2.760671 3.883417 2.975147 3.522588 4.549099 1.395125 2.425257 0.000000 2.760667 2.975310 3.883559 3.522089 4.548354 1.395131 2.425256 2.436110 0.000000 4.055817 5.013038 4.351360 4.724396 3.330326 2.401475 1.401243 1.393232 2.800736 0.000000 4.055808 4.351468 5.013156 4.723994 3.329357 2.401475 1.401253 2.800739 1.393224 2.423144 0.000000 6.080787 6.670984 6.671012 6.679927 1.524034 4.283602 1.506212 3.803679 3.803656 2.520488 2.520465 0.000000 2.889876 4.207439 2.587488 3.569238 5.354183 2.156322 3.411023 1.083674 3.414798 2.158120 3.884347 4.677061 0.000000 2.889877 2.587834 4.207670 3.568384 5.353056 2.156335 3.411020 3.414802 1.083675 3.884345 2.158106 4.677024 4.304611 0.000000 4.907329 5.971344 4.963734 5.509777 3.408034 3.385831 2.160787 2.146711 3.886545 1.085817 3.408815 2.726989 2.480813 4.970151 0.000000 4.907305 4.963902 5.971512 5.509135 3.406397 3.385826 2.160814 3.886551 2.146692 3.408827 1.085820 2.726975 4.970156 2.480773 4.308888 0.000000 6.572490 7.026144 7.342335 7.044173 2.101225 4.804681 2.166956 4.561186 4.059012 3.393684 2.685384 1.089626 5.507850 4.763121 3.717961 2.483274 0.000000 6.572557 7.342398 7.025844 7.044785 2.101278 4.804738 2.166986 4.058851 4.561427 2.685108 3.393978 1.089618 4.762851 5.508176 2.482677 3.718419 1.777668 0.000000 2.248054 2.533246 3.274909 1.017090 8.268091 3.401534 5.856511 4.388051 3.891996 5.530451 5.147819 7.288663 4.538707 3.652709 6.384566 5.787640 7.537887 7.734588 0.000000 2.248115 3.275086 2.533434 1.017089 8.268162 3.401313 5.856151 3.892163 4.387410 5.147846 5.529789 7.288282 3.653310 4.537871 5.787906 6.383693 7.733448 7.537970 1.684610 0.000000 6.655083 6.903647 7.204129 7.644998 1.024326 4.982743 2.739655 4.759426 4.314797 3.730171 3.146640 2.124483 5.640592 4.968593 4.042264 3.033903 2.426608 2.970906 8.169673 8.338547 0.000000 6.655211 7.203139 6.904577 7.645607 1.024320 4.982861 2.739741 4.315966 4.758577 3.148123 3.729097 2.124518 4.970332 5.639260 3.036477 4.040472 2.970889 2.426721 8.338915 8.170545 1.652464 0.000000 7.779631 8.232691 8.233335 8.606409 1.024530 6.021629 3.392110 5.500231 5.499577 4.218374 4.217563 2.120688 6.272997 6.271976 4.149119 4.147696 2.397154 2.397225 9.213265 9.213290 1.652812 1.652803 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2628333 0.3924380 0.3724502</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531409" y3="-0.000127" z3="-0.123026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918928" y3="-1.278266" z3="-0.736679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919372" y3="1.277633" z3="-0.737187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.07288" y3="0.000007" z3="1.465539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190363" y3="-0.001448" z3="-0.940008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.74261" y3="0.000219" z3="0.037772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022945" y3="0.00075" z3="0.299968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064917" y3="1.21825" z3="0.098915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064598" y3="-1.217564" z3="0.100522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32178" y3="1.212084" z3="0.233348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.32208" y3="-1.210864" z3="0.235033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523875" y3="0.001003" z3="0.42862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610204" y3="2.152746" z3="0.037775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609627" y3="-2.15229" z3="0.040606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856919" y3="2.155255" z3="0.288539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857417" y3="-2.153846" z3="0.29161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892921" y3="-0.886421" z3="0.942102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892928" y3="0.890192" z3="0.939012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.610258" y3="-0.841526" z3="1.659984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.6100" y3="0.841703" z3="1.659988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926149" y3="-0.82851" z3="-1.48389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.926269" y3="0.823687" z3="-1.486851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211588" y3="-0.001366" z3="-0.855212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5314,-.0001,-.123;2.9189,-1.2783,-.7367;2.9194,1.2776,-.7372;3.0729,0,1.4655;-4.1904,-.0014,-.94;.7426,.0002,.0378;-2.0229,.0008,.3;.0649,1.2183,.0989;.0646,-1.2176,.1005;-1.3218,1.2121,.2333;-1.3221,-1.2109,.235;-3.5239,.001,.4286;.6102,2.1527,.0378;.6096,-2.1523,.0406;-1.8569,2.1553,.2885;-1.8574,-2.1538,.2916;-3.8929,-.8864,.9421;-3.8929,.8902,.939;3.6103,-.8415,1.66;3.61,.8417,1.66;-3.9261,-.8285,-1.4839;-3.9263,.8237,-1.4869;-5.2116,-.0014,-.8552;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469823 0.000000 1.469822 2.555898 0.000000 1.678312 2.550970 2.551057 0.000000 6.771239 7.225899 7.226723 7.651233 0.000000 1.796012 2.640200 2.640197 2.732888 5.028944 0.000000 4.573955 5.208898 5.208898 5.227426 2.497048 2.777956 0.000000 2.759942 3.882806 2.974980 3.521309 4.546915 1.395208 2.425262 0.000000 2.759943 2.975195 3.882975 3.520726 4.546024 1.395218 2.425263 2.435814 0.000000 4.055062 5.012624 4.351277 4.722337 3.328391 2.401786 1.401213 1.393213 2.800513 0.000000 4.055055 4.351427 5.012758 4.721867 3.327229 2.401787 1.401227 2.800516 1.393203 2.422949 0.000000 6.080361 6.671144 6.671156 6.677753 1.522286 4.284351 1.506434 3.803923 3.803905 2.520728 2.520714 0.000000 2.889939 4.207354 2.588174 3.568973 5.351828 2.156595 3.410763 1.083678 3.414764 2.157698 3.884135 4.676898 0.000000 2.889954 2.588621 4.207643 3.567973 5.350479 2.156616 3.410760 3.414770 1.083679 3.884134 2.157679 4.676865 4.305037 0.000000 4.906372 5.970666 4.963396 5.507572 3.406708 3.385944 2.160923 2.146484 3.886321 1.085814 3.408765 2.727484 2.479836 4.969937 0.000000 4.906346 4.963616 5.970861 5.506816 3.404752 3.385938 2.160962 3.886327 2.146458 3.408781 1.085819 2.727495 4.969942 2.479780 4.309103 0.000000 6.572064 7.026601 7.342375 7.041457 2.100948 4.805423 2.167076 4.561259 4.059540 3.393644 2.685969 1.089669 5.507493 4.763198 3.718097 2.484508 0.000000 6.572115 7.342447 7.026179 7.042169 2.101001 4.805465 2.167099 4.059301 4.561547 2.685587 3.394006 1.089659 4.762822 5.507888 2.483713 3.718683 1.776615 0.000000 2.247441 2.532325 3.273314 1.017233 8.265312 3.400516 5.855941 4.387375 3.891661 5.529702 5.147315 7.288482 4.538453 3.652981 6.383697 5.787063 7.537577 7.734109 0.000000 2.247482 3.273509 2.532479 1.017232 8.265383 3.400236 5.855504 3.891831 4.386615 5.147324 5.528919 7.288019 3.653654 4.537470 5.787357 6.382666 7.732761 7.537645 1.683230 0.000000 6.651183 6.900412 7.201012 7.640156 1.024523 4.979916 2.737154 4.756376 4.311356 3.727689 3.143575 2.123113 5.637540 4.964851 4.040554 3.031265 2.426910 2.970773 8.165877 8.334694 0.000000 6.651338 7.199839 6.901512 7.640886 1.024515 4.980061 2.737260 4.312760 4.755363 3.145361 3.726403 2.123148 4.966938 5.635949 3.034352 4.038413 2.970756 2.427004 8.335151 8.166901 1.652200 0.000000 7.777538 8.231027 8.231785 8.603389 1.024739 6.020789 3.391444 5.499030 5.498246 4.217585 4.216609 2.120520 6.271434 6.270208 4.148853 4.147148 2.398446 2.398537 9.211788 9.211808 1.652803 1.652793 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2626908 0.3926056 0.3726419</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531209" y3="-0.000089" z3="-0.122868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.91866" y3="-1.278109" z3="-0.736522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919128" y3="1.277674" z3="-0.736758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072654" y3="-0.000142" z3="1.465941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.189954" y3="-0.001589" z3="-0.939816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742712" y3="0.000265" z3="0.037976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023054" y3="0.000814" z3="0.299968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.06485" y3="1.218253" z3="0.099185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064508" y3="-1.217468" z3="0.100745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32184" y3="1.212097" z3="0.233428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322161" y3="-1.210763" z3="0.235068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524381" y3="0.001087" z3="0.428011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610048" y3="2.152806" z3="0.03805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609429" y3="-2.152259" z3="0.040798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856825" y3="2.155356" z3="0.28855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857353" y3="-2.153831" z3="0.291552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.893214" y3="-0.8861" z3="0.942087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893211" y3="0.890212" z3="0.938705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.61071" y3="-0.84155" z3="1.658958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610392" y3="0.841418" z3="1.659177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.92566" y3="-0.828659" z3="-1.483795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.925803" y3="0.823386" z3="-1.487017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211273" y3="-0.001508" z3="-0.854942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5312,-.0001,-.1229;2.9187,-1.2781,-.7365;2.9191,1.2777,-.7368;3.0727,-.0001,1.4659;-4.19,-.0016,-.9398;.7427,.0003,.038;-2.0231,.0008,.3;.0649,1.2183,.0992;.0645,-1.2175,.1007;-1.3218,1.2121,.2334;-1.3222,-1.2108,.2351;-3.5244,.0011,.428;.61,2.1528,.0381;.6094,-2.1523,.0408;-1.8568,2.1554,.2885;-1.8574,-2.1538,.2916;-3.8932,-.8861,.9421;-3.8932,.8902,.9387;3.6107,-.8416,1.659;3.6104,.8414,1.6592;-3.9257,-.8287,-1.4838;-3.9258,.8234,-1.487;-5.2113,-.0015,-.8549;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469702 0.000000 1.469702 2.555783 0.000000 1.678534 2.551031 2.551131 0.000000 6.770630 7.225180 7.226120 7.650696 0.000000 1.795715 2.639856 2.639844 2.732712 5.028645 0.000000 4.573849 5.208694 5.208679 5.227402 2.496503 2.778147 0.000000 2.759817 3.882584 2.974766 3.521277 4.546526 1.395255 2.425246 0.000000 2.759824 2.975043 3.882783 3.520594 4.545500 1.395269 2.425245 2.435721 0.000000 4.054913 5.012362 4.351020 4.722307 3.328005 2.401897 1.401191 1.393186 2.800419 0.000000 4.054911 4.351217 5.012515 4.721763 3.326664 2.401903 1.401208 2.800426 1.393175 2.422861 0.000000 6.080595 6.671226 6.671220 6.678186 1.521166 4.284882 1.506777 3.804235 3.804221 2.521031 2.521028 0.000000 2.889933 4.207235 2.588057 3.569102 5.351416 2.156624 3.410703 1.083681 3.414716 2.157613 3.884050 4.677121 0.000000 2.889958 2.588612 4.207582 3.567929 5.349866 2.156649 3.410698 3.414722 1.083683 3.884044 2.157590 4.677095 4.305065 0.000000 4.906124 5.970320 4.962995 5.507467 3.406580 3.385971 2.160975 2.146359 3.886223 1.085811 3.408737 2.727832 2.479560 4.969843 0.000000 4.906100 4.963277 5.970546 5.506589 3.404327 3.385966 2.161023 3.886235 2.146329 3.408757 1.085816 2.727870 4.969853 2.479495 4.309188 0.000000 6.572089 7.026594 7.342237 7.041496 2.100469 4.805712 2.167125 4.561256 4.059707 3.393611 2.686186 1.089684 5.507413 4.763326 3.718124 2.484969 0.000000 6.572118 7.342315 7.026042 7.042299 2.100525 4.805736 2.167141 4.059391 4.561581 2.685698 3.394039 1.089673 4.762842 5.507870 2.483980 3.718834 1.776315 0.000000 2.246839 2.531372 3.272439 1.017216 8.264958 3.400243 5.856255 4.387346 3.891644 5.529887 5.147523 7.289362 4.538445 3.652956 6.383840 5.787192 7.538220 7.734765 0.000000 2.246876 3.272654 2.531535 1.017215 8.265036 3.399915 5.855747 3.891843 4.386458 5.147530 5.528979 7.288821 3.653745 4.537293 5.787531 6.382644 7.733217 7.538270 1.682968 0.000000 6.650549 6.899647 7.200405 7.639619 1.024602 4.979618 2.736740 4.756033 4.310844 3.727388 3.143040 2.122382 5.637179 4.964205 4.040498 3.030814 2.426779 2.970535 8.165411 8.334237 0.000000 6.650715 7.199041 6.900895 7.640455 1.024592 4.979775 2.736859 4.312455 4.754855 3.145100 3.725895 2.122416 4.966601 5.635336 3.034378 4.038021 2.970513 2.426861 8.334758 8.166584 1.652048 0.000000 7.777015 8.230404 8.231264 8.602904 1.024840 6.020569 3.390954 5.498696 5.497796 4.217237 4.216114 2.119335 6.271067 6.269662 4.148730 4.146773 2.397727 2.397837 9.211556 9.211574 1.653008 1.652999 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2629725 0.3926353 0.3726670</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531284" y3="-0.000062" z3="-0.122679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918727" y3="-1.278045" z3="-0.736443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.91922" y3="1.277753" z3="-0.736479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072859" y3="-0.000254" z3="1.466044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190129" y3="-0.001692" z3="-0.939755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742731" y3="0.000301" z3="0.037955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023051" y3="0.000863" z3="0.299805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.06486" y3="1.218292" z3="0.099117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064501" y3="-1.217429" z3="0.100645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321837" y3="1.21214" z3="0.233312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322172" y3="-1.210716" z3="0.234928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524451" y3="0.001146" z3="0.42782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610097" y3="2.152823" z3="0.038038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609451" y3="-2.152205" z3="0.04073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856817" y3="2.155399" z3="0.288475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857364" y3="-2.153782" z3="0.291441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.893091" y3="-0.885976" z3="0.942153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893091" y3="0.890322" z3="0.938567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.61092" y3="-0.84168" z3="1.658953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610564" y3="0.841311" z3="1.659335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926022" y3="-0.828801" z3="-1.48378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.926191" y3="0.823206" z3="-1.487189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211426" y3="-0.001617" z3="-0.854515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5313,-.0001,-.1227;2.9187,-1.278,-.7364;2.9192,1.2778,-.7365;3.0729,-.0003,1.466;-4.1901,-.0017,-.9398;.7427,.0003,.038;-2.0231,.0009,.2998;.0649,1.2183,.0991;.0645,-1.2174,.1006;-1.3218,1.2121,.2333;-1.3222,-1.2107,.2349;-3.5245,.0011,.4278;.6101,2.1528,.038;.6095,-2.1522,.0407;-1.8568,2.1554,.2885;-1.8574,-2.1538,.2914;-3.8931,-.886,.9422;-3.8931,.8903,.9386;3.6109,-.8417,1.659;3.6106,.8413,1.6593;-3.926,-.8288,-1.4838;-3.9262,.8232,-1.4872;-5.2114,-.0016,-.8545;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469714 0.000000 1.469714 2.555799 0.000000 1.678494 2.550972 2.551081 0.000000 6.770895 7.225389 7.226421 7.651070 0.000000 1.795753 2.639853 2.639837 2.732935 5.028820 0.000000 4.573889 5.208702 5.208683 5.227658 2.496547 2.778149 0.000000 2.759861 3.882579 2.974749 3.521562 4.546707 1.395260 2.425238 0.000000 2.759869 2.975063 3.882800 3.520802 4.545583 1.395275 2.425236 2.435722 0.000000 4.054960 5.012367 4.351019 4.722592 3.328149 2.401906 1.401183 1.393188 2.800417 0.000000 4.054959 4.351243 5.012537 4.721987 3.326680 2.401913 1.401201 2.800426 1.393176 2.422857 0.000000 6.080706 6.671310 6.671298 6.678504 1.520985 4.284954 1.506848 3.804293 3.804280 2.521081 2.521081 0.000000 2.889932 4.207190 2.587987 3.569333 5.351653 2.156604 3.410707 1.083680 3.414703 2.157634 3.884048 4.677193 0.000000 2.889960 2.588611 4.207577 3.568024 5.349955 2.156630 3.410701 3.414709 1.083682 3.884041 2.157610 4.677168 4.305029 0.000000 4.906169 5.970328 4.962996 5.507741 3.406748 3.385979 2.160969 2.146361 3.886220 1.085811 3.408731 2.727861 2.479595 4.969839 0.000000 4.906143 4.963316 5.970579 5.506766 3.404281 3.385975 2.161022 3.886235 2.146328 3.408753 1.085816 2.727910 4.969852 2.479523 4.309182 0.000000 6.572009 7.026539 7.342146 7.041549 2.100420 4.805611 2.167058 4.561143 4.059621 3.393507 2.686121 1.089687 5.507306 4.763274 3.718018 2.484942 0.000000 6.572034 7.342230 7.025914 7.042430 2.100480 4.805630 2.167073 4.059263 4.561498 2.685573 3.393979 1.089675 4.762727 5.507809 2.483838 3.718807 1.776301 0.000000 2.246807 2.531298 3.272390 1.017212 8.265303 3.400452 5.856517 4.387609 3.891864 5.530164 5.147760 7.289689 4.538651 3.653073 6.384108 5.787386 7.538298 7.734919 0.000000 2.246848 3.272624 2.531475 1.017212 8.265394 3.400094 5.855961 3.892096 4.386626 5.147779 5.529162 7.289098 3.653966 4.537367 5.787775 6.382786 7.733220 7.538352 1.682991 0.000000 6.651030 6.900066 7.200928 7.640175 1.024610 4.979993 2.736935 4.756394 4.311113 3.727683 3.143222 2.122329 5.637587 4.964477 4.040785 3.030895 2.426829 2.970561 8.165931 8.334780 0.000000 6.651214 7.199429 6.901437 7.641097 1.024600 4.980167 2.737068 4.312882 4.755106 3.145482 3.726049 2.122366 4.967103 5.635570 3.034803 4.038072 2.970539 2.426910 8.335352 8.167228 1.652010 0.000000 7.777220 8.230589 8.231533 8.603161 1.024848 6.020672 3.390900 5.498799 5.497812 4.217283 4.216053 2.119026 6.271236 6.269697 4.148800 4.146656 2.397522 2.397646 9.211787 9.211812 1.653019 1.653009 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631198 0.3926154 0.3726449</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531332" y3="-0.000028" z3="-0.122619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918767" y3="-1.277979" z3="-0.7365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919298" y3="1.277866" z3="-0.736284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072914" y3="-0.000395" z3="1.466083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190255" y3="-0.00182" z3="-0.939731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742738" y3="0.000348" z3="0.037983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023032" y3="0.000926" z3="0.299713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064895" y3="1.21835" z3="0.09915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064516" y3="-1.217386" z3="0.10064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321812" y3="1.212202" z3="0.233264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322166" y3="-1.210662" z3="0.234852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524452" y3="0.00122" z3="0.427742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610168" y3="2.152861" z3="0.038094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609485" y3="-2.15215" z3="0.04072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856804" y3="2.155455" z3="0.288412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857376" y3="-2.153719" z3="0.291339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.893017" y3="-0.885841" z3="0.942237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893029" y3="0.890472" z3="0.938403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.611016" y3="-0.841826" z3="1.658875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610614" y3="0.841158" z3="1.659463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.92624" y3="-0.828997" z3="-1.483696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.926452" y3="0.823006" z3="-1.487335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211537" y3="-0.001759" z3="-0.854326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5313,0,-.1226;2.9188,-1.278,-.7365;2.9193,1.2779,-.7363;3.0729,-.0004,1.4661;-4.1903,-.0018,-.9397;.7427,.0003,.038;-2.023,.0009,.2997;.0649,1.2184,.0992;.0645,-1.2174,.1006;-1.3218,1.2122,.2333;-1.3222,-1.2107,.2349;-3.5245,.0012,.4277;.6102,2.1529,.0381;.6095,-2.1521,.0407;-1.8568,2.1555,.2884;-1.8574,-2.1537,.2913;-3.893,-.8858,.9422;-3.893,.8905,.9384;3.611,-.8418,1.6589;3.6106,.8412,1.6595;-3.9262,-.829,-1.4837;-3.9265,.823,-1.4873;-5.2115,-.0018,-.8543;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469733 0.000000 1.469733 2.555845 0.000000 1.678478 2.550952 2.551073 0.000000 6.771071 7.225515 7.226668 7.651246 0.000000 1.795790 2.639895 2.639878 2.732982 5.028951 0.000000 4.573904 5.208715 5.208694 5.227723 2.496614 2.778127 0.000000 2.759880 3.882596 2.974746 3.521650 4.546910 1.395257 2.425239 0.000000 2.759890 2.975101 3.882848 3.520790 4.545662 1.395274 2.425236 2.435736 0.000000 4.054982 5.012380 4.351018 4.722695 3.328322 2.401894 1.401182 1.393191 2.800427 0.000000 4.054981 4.351272 5.012574 4.722012 3.326692 2.401902 1.401202 2.800438 1.393177 2.422864 0.000000 6.080742 6.671348 6.671334 6.678577 1.520949 4.284954 1.506869 3.804312 3.804299 2.521095 2.521097 0.000000 2.889919 4.207171 2.587926 3.569423 5.351902 2.156592 3.410720 1.083680 3.414706 2.157656 3.884059 4.677229 0.000000 2.889949 2.588634 4.207610 3.567939 5.350019 2.156620 3.410713 3.414713 1.083682 3.884050 2.157629 4.677203 4.305012 0.000000 4.906199 5.970342 4.962995 5.507877 3.406929 3.385974 2.160961 2.146372 3.886230 1.085810 3.408731 2.727855 2.479640 4.969848 0.000000 4.906171 4.963357 5.970628 5.506777 3.404192 3.385970 2.161021 3.886247 2.146335 3.408757 1.085817 2.727914 4.969863 2.479560 4.309175 0.000000 6.571975 7.026545 7.342118 7.041493 2.100392 4.805542 2.167035 4.561083 4.059590 3.393452 2.686109 1.089689 5.507255 4.763276 3.717947 2.484959 0.000000 6.571999 7.342210 7.025842 7.042474 2.100457 4.805561 2.167050 4.059188 4.561477 2.685495 3.393978 1.089676 4.762663 5.507814 2.483723 3.718828 1.776317 0.000000 2.246790 2.531257 3.272363 1.017217 8.265482 3.400524 5.856624 4.387715 3.891890 5.530298 5.147831 7.289809 4.538741 3.653021 6.384271 5.787446 7.538304 7.735026 0.000000 2.246834 3.272619 2.531450 1.017216 8.265590 3.400128 5.856012 3.892168 4.386610 5.147868 5.529177 7.289156 3.654050 4.537290 5.787902 6.382787 7.733138 7.538369 1.682985 0.000000 6.651312 6.900289 7.201311 7.640414 1.024608 4.980228 2.737063 4.756699 4.311275 3.727932 3.143291 2.122331 5.637935 4.964613 4.041025 3.030814 2.426826 2.970562 8.166158 8.335048 0.000000 6.651527 7.199647 6.901831 7.641452 1.024598 4.980432 2.737218 4.313245 4.755280 3.145804 3.726130 2.122371 4.967532 5.635711 3.035151 4.038026 2.970538 2.426907 8.335690 8.167621 1.652006 0.000000 7.777366 8.230702 8.231759 8.603280 1.024847 6.020765 3.390926 5.498956 5.497858 4.217406 4.216037 2.118953 6.271447 6.269736 4.148934 4.146550 2.397443 2.397586 9.211912 9.211948 1.653003 1.652992 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631552 0.3926048 0.3726331</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531358" y3="0.000015" z3="-0.122592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918787" y3="-1.277873" z3="-0.736631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919365" y3="1.277984" z3="-0.736097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072914" y3="-0.000572" z3="1.466124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190321" y3="-0.001979" z3="-0.939701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742744" y3="0.000406" z3="0.03797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023018" y3="0.001005" z3="0.299659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064922" y3="1.218415" z3="0.099142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064518" y3="-1.217327" z3="0.100589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32179" y3="1.212275" z3="0.233235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322164" y3="-1.210592" z3="0.234792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524438" y3="0.001311" z3="0.427725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610215" y3="2.152916" z3="0.038112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609488" y3="-2.152091" z3="0.040663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856784" y3="2.155526" z3="0.288383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857386" y3="-2.153644" z3="0.291267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892963" y3="-0.885665" z3="0.942395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892988" y3="0.890651" z3="0.938253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.611052" y3="-0.842011" z3="1.658801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610592" y3="0.840966" z3="1.659647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926331" y3="-0.82924" z3="-1.483549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.926601" y3="0.822761" z3="-1.487471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211598" y3="-0.001937" z3="-0.854238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5314,0,-.1226;2.9188,-1.2779,-.7366;2.9194,1.278,-.7361;3.0729,-.0006,1.4661;-4.1903,-.002,-.9397;.7427,.0004,.038;-2.023,.001,.2997;.0649,1.2184,.0991;.0645,-1.2173,.1006;-1.3218,1.2123,.2332;-1.3222,-1.2106,.2348;-3.5244,.0013,.4277;.6102,2.1529,.0381;.6095,-2.1521,.0407;-1.8568,2.1555,.2884;-1.8574,-2.1536,.2913;-3.893,-.8857,.9424;-3.893,.8907,.9383;3.6111,-.842,1.6588;3.6106,.841,1.6596;-3.9263,-.8292,-1.4835;-3.9266,.8228,-1.4875;-5.2116,-.0019,-.8542;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469742 0.000000 1.469742 2.555856 0.000000 1.678482 2.550957 2.551090 0.000000 6.771162 7.225549 7.226853 7.651312 0.000000 1.795807 2.639918 2.639899 2.733006 5.029013 0.000000 4.573908 5.208729 5.208706 5.227731 2.496643 2.778114 0.000000 2.759886 3.882591 2.974730 3.521731 4.547048 1.395253 2.425239 0.000000 2.759897 2.975139 3.882882 3.520742 4.545650 1.395272 2.425236 2.435743 0.000000 4.054989 5.012381 4.351013 4.722757 3.328463 2.401886 1.401181 1.393193 2.800431 0.000000 4.054988 4.351305 5.012605 4.721974 3.326635 2.401895 1.401203 2.800444 1.393178 2.422867 0.000000 6.080749 6.671370 6.671354 6.678573 1.520942 4.284944 1.506872 3.804315 3.804301 2.521095 2.521099 0.000000 2.889914 4.207142 2.587872 3.569541 5.352087 2.156587 3.410724 1.083679 3.414708 2.157665 3.884065 4.677238 0.000000 2.889948 2.588688 4.207648 3.567834 5.349977 2.156619 3.410717 3.414716 1.083682 3.884054 2.157635 4.677211 4.305008 0.000000 4.906213 5.970340 4.962987 5.507973 3.407112 3.385971 2.160954 2.146379 3.886234 1.085810 3.408730 2.727843 2.479662 4.969852 0.000000 4.906180 4.963404 5.970670 5.506711 3.404046 3.385966 2.161022 3.886253 2.146337 3.408760 1.085817 2.727914 4.969869 2.479571 4.309171 0.000000 6.571950 7.026584 7.342107 7.041387 2.100383 4.805506 2.167023 4.561040 4.059593 3.393405 2.686128 1.089690 5.507206 4.763299 3.717876 2.485017 0.000000 6.571974 7.342207 7.025783 7.042494 2.100454 4.805523 2.167039 4.059136 4.561481 2.685434 3.393996 1.089675 4.762604 5.507834 2.483620 3.718870 1.776321 0.000000 2.246799 2.531264 3.272360 1.017220 8.265548 3.400581 5.856679 4.387816 3.891887 5.530394 5.147842 7.289853 4.538860 3.652953 6.384396 5.787429 7.538261 7.735109 0.000000 2.246846 3.272647 2.531475 1.017219 8.265677 3.400137 5.855994 3.892226 4.386556 5.147904 5.529121 7.289122 3.654156 4.537193 5.787974 6.382706 7.732984 7.538341 1.682977 0.000000 6.651437 6.900348 7.201572 7.640465 1.024608 4.980321 2.737104 4.756879 4.311262 3.728105 3.143216 2.122334 5.638170 4.964556 4.041237 3.030603 2.426830 2.970566 8.166190 8.335135 0.000000 6.651695 7.199705 6.902104 7.641650 1.024596 4.980564 2.737288 4.313483 4.755306 3.146044 3.726098 2.122379 4.967838 5.635694 3.035468 4.037889 2.970540 2.426907 8.335869 8.167862 1.652006 0.000000 7.777447 8.230735 8.231933 8.603326 1.024847 6.020816 3.390948 5.499078 5.497842 4.217525 4.215985 2.118950 6.271617 6.269693 4.149097 4.146416 2.397429 2.397597 9.211962 9.212011 1.652989 1.652976 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631698 0.3925998 0.3726277</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531388" y3="0.000118" z3="-0.122564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918783" y3="-1.277614" z3="-0.736978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.91947" y3="1.278261" z3="-0.735688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072905" y3="-0.000993" z3="1.46617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190397" y3="-0.00235" z3="-0.939666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742749" y3="0.000542" z3="0.037961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.0230" y3="0.00119" z3="0.299597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064969" y3="1.218567" z3="0.099163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.06451" y3="-1.217186" z3="0.100517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32175" y3="1.212446" z3="0.233217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322173" y3="-1.210425" z3="0.234708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524418" y3="0.001524" z3="0.427705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610296" y3="2.15305" z3="0.038177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609469" y3="-2.151954" z3="0.040565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856746" y3="2.155696" z3="0.288362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857413" y3="-2.15347" z3="0.29116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892891" y3="-0.885255" z3="0.942759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892947" y3="0.891063" z3="0.937898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.611123" y3="-0.842453" z3="1.658552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610525" y3="0.840513" z3="1.660012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926404" y3="-0.829807" z3="-1.483212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.926808" y3="0.822192" z3="-1.487794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211668" y3="-0.002355" z3="-0.85414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5314,.0001,-.1226;2.9188,-1.2776,-.737;2.9195,1.2783,-.7357;3.0729,-.001,1.4662;-4.1904,-.0024,-.9397;.7427,.0005,.038;-2.023,.0012,.2996;.065,1.2186,.0992;.0645,-1.2172,.1005;-1.3217,1.2124,.2332;-1.3222,-1.2104,.2347;-3.5244,.0015,.4277;.6103,2.153,.0382;.6095,-2.152,.0406;-1.8567,2.1557,.2884;-1.8574,-2.1535,.2912;-3.8929,-.8853,.9428;-3.8929,.8911,.9379;3.6111,-.8425,1.6586;3.6105,.8405,1.66;-3.9264,-.8298,-1.4832;-3.9268,.8222,-1.4878;-5.2117,-.0024,-.8541;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469754 0.000000 1.469755 2.555875 0.000000 1.678488 2.550956 2.551120 0.000000 6.771266 7.225497 7.227155 7.651379 0.000000 1.795827 2.639950 2.639926 2.733022 5.029084 0.000000 4.573912 5.208747 5.208717 5.227729 2.496676 2.778097 0.000000 2.759892 3.882563 2.974679 3.521891 4.547300 1.395247 2.425241 0.000000 2.759905 2.975218 3.882948 3.520593 4.545552 1.395272 2.425237 2.435753 0.000000 4.054996 5.012364 4.350984 4.722881 3.328741 2.401873 1.401178 1.393197 2.800436 0.000000 4.054995 4.351367 5.012660 4.721857 3.326456 2.401886 1.401207 2.800453 1.393177 2.422872 0.000000 6.080755 6.671396 6.671374 6.678555 1.520935 4.284929 1.506874 3.804318 3.804302 2.521092 2.521102 0.000000 2.889904 4.207069 2.587742 3.569805 5.352436 2.156579 3.410732 1.083679 3.414712 2.157679 3.884073 4.677249 0.000000 2.889947 2.588817 4.207737 3.567562 5.349800 2.156620 3.410721 3.414722 1.083682 3.884059 2.157639 4.677218 4.305004 0.000000 4.906230 5.970311 4.962944 5.508176 3.407512 3.385965 2.160940 2.146392 3.886237 1.085809 3.408727 2.727820 2.479697 4.969856 0.000000 4.906188 4.963491 5.970746 5.506527 3.403684 3.385960 2.161030 3.886264 2.146337 3.408766 1.085819 2.727921 4.969879 2.479578 4.309167 0.000000 6.571921 7.026689 7.342087 7.041178 2.100370 4.805461 2.167010 4.560962 4.059627 3.393312 2.686199 1.089693 5.507109 4.763373 3.717728 2.485180 0.000000 6.571943 7.342209 7.025656 7.042579 2.100455 4.805475 2.167026 4.059043 4.561512 2.685314 3.394055 1.089675 4.762489 5.507895 2.483406 3.718985 1.776325 0.000000 2.246804 2.531257 3.272338 1.017224 8.265604 3.400665 5.856777 4.388018 3.891832 5.530590 5.147829 7.289941 4.539120 3.652752 6.384662 5.787349 7.538197 7.735340 0.000000 2.246860 3.272694 2.531513 1.017223 8.265780 3.400108 5.855920 3.892318 4.386384 5.147952 5.528955 7.289026 3.654377 4.536938 5.788107 6.382479 7.732656 7.538308 1.682967 0.000000 6.651557 6.900288 7.201995 7.640426 1.024607 4.980405 2.737135 4.757184 4.311109 3.728424 3.142951 2.122336 5.638591 4.964284 4.041681 3.030050 2.426836 2.970571 8.166098 8.335173 0.000000 6.651913 7.199654 6.902549 7.641958 1.024594 4.980743 2.737388 4.313911 4.755251 3.146506 3.725946 2.122392 4.968408 5.635533 3.036135 4.037529 2.970541 2.426906 8.336122 8.168255 1.652006 0.000000 7.777539 8.230689 8.232218 8.603371 1.024846 6.020875 3.390976 5.499303 5.497749 4.217765 4.215827 2.118950 6.271942 6.269522 4.149456 4.146087 2.397401 2.397628 9.212004 9.212082 1.652971 1.652955 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631816 0.3925944 0.3726219</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531471" y3="0.000519" z3="-0.122492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918717" y3="-1.276588" z3="-0.738369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919826" y3="1.279327" z3="-0.734135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.07286" y3="-0.002629" z3="1.466308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190609" y3="-0.003782" z3="-0.939552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742769" y3="0.001073" z3="0.037924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022948" y3="0.001902" z3="0.299415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065132" y3="1.219146" z3="0.099248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064465" y3="-1.216632" z3="0.100258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321612" y3="1.213104" z3="0.233186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322216" y3="-1.20978" z3="0.234436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524358" y3="0.002345" z3="0.427654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.610574" y3="2.15357" z3="0.038423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609367" y3="-2.151427" z3="0.040205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856602" y3="2.156353" z3="0.28833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857515" y3="-2.152801" z3="0.290816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892668" y3="-0.883664" z3="0.944168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892843" y3="0.89265" z3="0.936533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.611377" y3="-0.844175" z3="1.657541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.610239" y3="0.838757" z3="1.661386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926532" y3="-0.831995" z3="-1.481906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.927456" y3="0.819994" z3="-1.489028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211866" y3="-0.003966" z3="-0.853868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5315,.0005,-.1225;2.9187,-1.2766,-.7384;2.9198,1.2793,-.7341;3.0729,-.0026,1.4663;-4.1906,-.0038,-.9396;.7428,.0011,.0379;-2.0229,.0019,.2994;.0651,1.2191,.0992;.0645,-1.2166,.1003;-1.3216,1.2131,.2332;-1.3222,-1.2098,.2344;-3.5244,.0023,.4277;.6106,2.1536,.0384;.6094,-2.1514,.0402;-1.8566,2.1564,.2883;-1.8575,-2.1528,.2908;-3.8927,-.8837,.9442;-3.8928,.8927,.9365;3.6114,-.8442,1.6575;3.6102,.8388,1.6614;-3.9265,-.832,-1.4819;-3.9275,.82,-1.489;-5.2119,-.004,-.8539;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469785 0.000000 1.469787 2.555918 0.000000 1.678511 2.550948 2.551231 0.000000 6.771556 7.225167 7.228198 7.651546 0.000000 1.795881 2.640038 2.639997 2.733061 5.029285 0.000000 4.573919 5.208799 5.208747 5.227706 2.496764 2.778051 0.000000 2.759900 3.882427 2.974462 3.522501 4.548186 1.395226 2.425248 0.000000 2.759926 2.975508 3.883182 3.519991 4.545093 1.395273 2.425238 2.435779 0.000000 4.055011 5.012273 4.350849 4.723345 3.329755 2.401836 1.401167 1.393211 2.800446 0.000000 4.055012 4.351589 5.012853 4.721378 3.325712 2.401863 1.401221 2.800481 1.393174 2.422885 0.000000 6.080767 6.671470 6.671427 6.678482 1.520915 4.284888 1.506878 3.804326 3.804306 2.521080 2.521114 0.000000 2.889872 4.206770 2.587235 3.570841 5.353687 2.156553 3.410752 1.083676 3.414721 2.157719 3.884099 4.677279 0.000000 2.889953 2.589329 4.208075 3.566497 5.349026 2.156631 3.410732 3.414739 1.083682 3.884069 2.157646 4.677236 4.304998 0.000000 4.906279 5.970165 4.962748 5.508941 3.409027 3.385951 2.160892 2.146432 3.886244 1.085805 3.408713 2.727741 2.479802 4.969863 0.000000 4.906201 4.963806 5.971015 5.505781 3.402267 3.385942 2.161062 3.886297 2.146330 3.408788 1.085824 2.727956 4.969909 2.479580 4.309155 0.000000 6.571841 7.027111 7.342022 7.040414 2.100325 4.805342 2.166976 4.560688 4.059797 3.392972 2.686502 1.089702 5.506755 4.763684 3.717175 2.485844 0.000000 6.571852 7.342224 7.025177 7.042955 2.100464 4.805342 2.166994 4.058721 4.561657 2.684887 3.394301 1.089671 4.762068 5.508149 2.482618 3.719447 1.776331 0.000000 2.246824 2.531233 3.272249 1.017236 8.265721 3.400957 5.857129 4.388783 3.891585 5.531325 5.147740 7.290263 4.540135 3.651951 6.385663 5.786987 7.537980 7.736261 0.000000 2.246910 3.272875 2.531658 1.017233 8.266074 3.399960 5.855602 3.892653 4.385688 5.148111 5.528273 7.288632 3.655233 4.535930 5.788582 6.381553 7.731413 7.538207 1.682937 0.000000 6.651833 6.899852 7.203434 7.640112 1.024608 4.980588 2.737174 4.758215 4.310365 3.729555 3.141817 2.122331 5.640065 4.963074 4.043336 3.027855 2.426860 2.970586 8.165558 8.335143 0.000000 6.652571 7.199252 6.904065 7.642980 1.024588 4.981287 2.737692 4.315403 4.754904 3.148171 3.725264 2.122430 4.970438 5.634773 3.038634 4.036089 2.970539 2.426896 8.336927 8.169596 1.652004 0.000000 7.777801 8.230388 8.233200 8.603482 1.024845 6.021046 3.391061 5.500104 5.497325 4.218652 4.215183 2.118967 6.273114 6.268788 4.150830 4.144811 2.397308 2.397765 9.212097 9.212286 1.652921 1.652891 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2632143 0.3925799 0.3726063</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531667" y3="0.001687" z3="-0.122327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.918448" y3="-1.273578" z3="-0.742462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.920768" y3="1.282403" z3="-0.729666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072703" y3="-0.007383" z3="1.466629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191096" y3="-0.007916" z3="-0.939236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742831" y3="0.002609" z3="0.037823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022812" y3="0.003959" z3="0.298966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065582" y3="1.220817" z3="0.09951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064319" y3="-1.21502" z3="0.099551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321228" y3="1.215002" z3="0.233144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322348" y3="-1.207911" z3="0.233721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524206" y3="0.004713" z3="0.427529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611331" y3="2.155082" z3="0.039125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609034" y3="-2.149907" z3="0.039208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856186" y3="2.158257" z3="0.288275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.8578" y3="-2.150872" z3="0.289909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892088" y3="-0.87905" z3="0.948231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892616" y3="0.897209" z3="0.932586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.61205" y3="-0.849176" z3="1.654534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.609336" y3="0.833662" z3="1.66531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.92668" y3="-0.838298" z3="-1.478109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.929115" y3="0.813635" z3="-1.492561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212325" y3="-0.008626" z3="-0.853208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5317,.0017,-.1223;2.9184,-1.2736,-.7425;2.9208,1.2824,-.7297;3.0727,-.0074,1.4666;-4.1911,-.0079,-.9392;.7428,.0026,.0378;-2.0228,.004,.299;.0656,1.2208,.0995;.0643,-1.215,.0996;-1.3212,1.215,.2331;-1.3223,-1.2079,.2337;-3.5242,.0047,.4275;.6113,2.1551,.0391;.609,-2.1499,.0392;-1.8562,2.1583,.2883;-1.8578,-2.1509,.2899;-3.8921,-.879,.9482;-3.8926,.8972,.9326;3.612,-.8492,1.6545;3.6093,.8337,1.6653;-3.9267,-.8383,-1.4781;-3.9291,.8136,-1.4926;-5.2123,-.0086,-.8532;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469853 0.000000 1.469862 2.556014 0.000000 1.678566 2.550907 2.551537 0.000000 6.772221 7.224004 7.231007 7.651860 0.000000 1.795992 2.640229 2.640137 2.733110 5.029751 0.000000 4.573923 5.208908 5.208789 5.227603 2.496947 2.777944 0.000000 2.759904 3.881980 2.973788 3.524240 4.550614 1.395171 2.425266 0.000000 2.759966 2.976318 3.883816 3.518191 4.543647 1.395281 2.425240 2.435837 0.000000 4.055034 5.011955 4.350412 4.724653 3.332588 2.401747 1.401134 1.393246 2.800463 0.000000 4.055038 4.352194 5.013363 4.719937 3.323482 2.401811 1.401262 2.800550 1.393161 2.422914 0.000000 6.080786 6.671634 6.671528 6.678254 1.520838 4.284796 1.506889 3.804350 3.804317 2.521051 2.521150 0.000000 2.889787 4.205874 2.585751 3.573846 5.357150 2.156486 3.410800 1.083670 3.414742 2.157818 3.884161 4.677351 0.000000 2.889978 2.590821 4.209042 3.563370 5.346656 2.156671 3.410752 3.414786 1.083684 3.884088 2.157645 4.677270 4.304990 0.000000 4.906388 5.969676 4.962118 5.511121 3.413341 3.385917 2.160759 2.146536 3.886252 1.085794 3.408672 2.727533 2.480065 4.969872 0.000000 4.906208 4.964674 5.971736 5.503552 3.398136 3.385899 2.161159 3.886379 2.146299 3.408848 1.085837 2.728075 4.969985 2.479541 4.309130 0.000000 6.571638 7.028335 7.341814 7.038242 2.100193 4.805064 2.166897 4.559925 4.060331 3.392009 2.687422 1.089727 5.505744 4.764609 3.715599 2.487819 0.000000 6.571622 7.342254 7.023792 7.044086 2.100490 4.805026 2.166919 4.057840 4.562103 2.683700 3.395028 1.089659 4.760888 5.508892 2.480408 3.720794 1.776329 0.000000 2.246871 2.531164 3.271989 1.017261 8.265861 3.401722 5.858078 4.390947 3.890786 5.533392 5.147396 7.291147 4.543064 3.649560 6.388499 5.785835 7.537363 7.738933 0.000000 2.247042 3.273401 2.532075 1.017254 8.266720 3.399443 5.854604 3.893561 4.383588 5.148494 5.526208 7.287433 3.657686 4.532957 5.789879 6.378774 7.727803 7.537917 1.682874 0.000000 6.652366 6.898292 7.207294 7.638931 1.024614 4.980914 2.737171 4.760986 4.308016 3.732667 3.138395 2.122288 5.644100 4.959363 4.048012 3.021424 2.426929 2.970622 8.163702 8.334751 0.000000 6.654210 7.197793 6.908159 7.645674 1.024573 4.982662 2.738455 4.319501 4.753711 3.152812 3.723162 2.122511 4.976062 5.632379 3.045722 4.031854 2.970526 2.426861 8.338964 8.173175 1.651997 0.000000 7.778414 8.229328 8.235850 8.603682 1.024846 6.021457 3.391262 5.502318 5.496008 4.221145 4.213267 2.119012 6.276373 6.266556 4.154761 4.141108 2.397050 2.398173 9.212215 9.212714 1.652797 1.652729 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2632944 0.3925494 0.3725722</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531961" y3="0.003674" z3="-0.12207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.917896" y3="-1.268407" z3="-0.749445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.922262" y3="1.287584" z3="-0.722093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072408" y3="-0.015463" z3="1.467052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191772" y3="-0.014898" z3="-0.938689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742949" y3="0.005216" z3="0.037663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022595" y3="0.007439" z3="0.29827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066323" y3="1.223639" z3="0.099947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064064" y3="-1.212278" z3="0.098406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32059" y3="1.218209" z3="0.233104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322571" y3="-1.204742" z3="0.232592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523972" y3="0.008709" z3="0.42731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.612562" y3="2.157651" z3="0.040277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.608441" y3="-2.147337" z3="0.03759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855477" y3="2.161485" z3="0.28819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.858257" y3="-2.147615" z3="0.288478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891183" y3="-0.871211" z3="0.955037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892324" y3="0.904851" z3="0.925868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.613105" y3="-0.857659" z3="1.649336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.607674" y3="0.824998" z3="1.671898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926664" y3="-0.84889" z3="-1.471641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.931703" y3="0.802868" z3="-1.498448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212966" y3="-0.016521" z3="-0.852153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.532,.0037,-.1221;2.9179,-1.2684,-.7494;2.9223,1.2876,-.7221;3.0724,-.0155,1.4671;-4.1918,-.0149,-.9387;.7429,.0052,.0377;-2.0226,.0074,.2983;.0663,1.2236,.0999;.0641,-1.2123,.0984;-1.3206,1.2182,.2331;-1.3226,-1.2047,.2326;-3.524,.0087,.4273;.6126,2.1577,.0403;.6084,-2.1473,.0376;-1.8555,2.1615,.2882;-1.8583,-2.1476,.2885;-3.8912,-.8712,.955;-3.8923,.9049,.9259;3.6131,-.8577,1.6493;3.6077,.825,1.6719;-3.9267,-.8489,-1.4716;-3.9317,.8029,-1.4984;-5.213,-.0165,-.8522;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469943 0.000000 1.469962 2.556141 0.000000 1.678618 2.550804 2.552025 0.000000 6.773168 7.221806 7.235527 7.652183 0.000000 1.796130 2.640464 2.640285 2.733123 5.030421 0.000000 4.573913 5.209025 5.208792 5.227392 2.497178 2.777796 0.000000 2.759888 3.881137 2.972579 3.527166 4.554570 1.395083 2.425294 0.000000 2.760012 2.977644 3.884820 3.515066 4.541082 1.395301 2.425242 2.435919 0.000000 4.055046 5.011330 4.349598 4.726839 3.337265 2.401613 1.401079 1.393301 2.800479 0.000000 4.055055 4.353161 5.014151 4.717426 3.319630 2.401742 1.401331 2.800652 1.393133 2.422952 0.000000 6.080803 6.671839 6.671624 6.677864 1.520680 4.284676 1.506913 3.804397 3.804338 2.521011 2.521218 0.000000 2.889649 4.204295 2.583203 3.578960 5.362832 2.156383 3.410868 1.083659 3.414770 2.157964 3.884251 4.677463 0.000000 2.890029 2.593362 4.210649 3.558002 5.342515 2.156751 3.410772 3.414859 1.083688 3.884108 2.157619 4.677313 4.304991 0.000000 4.906534 5.968747 4.960964 5.514786 3.420548 3.385864 2.160543 2.146697 3.886249 1.085775 3.408601 2.727210 2.480462 4.969874 0.000000 4.906181 4.966079 5.972873 5.499688 3.391122 3.385832 2.161333 3.886503 2.146230 3.408948 1.085861 2.728298 4.970097 2.479425 4.309101 0.000000 6.571329 7.030404 7.341402 7.034633 2.099958 4.804672 2.166792 4.558665 4.061295 3.390400 2.689040 1.089770 5.504045 4.766217 3.712954 2.491244 0.000000 6.571282 7.342263 7.021456 7.046088 2.100519 4.804582 2.166822 4.056434 4.562887 2.681778 3.396270 1.089640 4.758968 5.510153 2.476794 3.723069 1.776302 0.000000 2.246919 2.531043 3.271545 1.017288 8.265847 3.402916 5.859597 4.394550 3.889322 5.536812 5.146700 7.292585 4.548013 3.645408 6.393226 5.783747 7.536350 7.743469 0.000000 2.247232 3.274300 2.532779 1.017274 8.267524 3.398444 5.852793 3.895011 4.379902 5.149032 5.522568 7.285307 3.661809 4.527818 5.791966 6.373907 7.721649 7.537434 1.682817 0.000000 6.652973 6.895330 7.213469 7.636591 1.024628 4.981243 2.737036 4.765418 4.303837 3.737737 3.132466 2.122181 5.650643 4.952871 4.055759 3.010484 2.427040 2.970663 8.160189 8.333666 0.000000 6.656732 7.195012 6.914803 7.649930 1.024553 4.984802 2.739635 4.326214 4.751517 3.160489 3.719484 2.122611 4.985324 5.628147 3.057553 4.024628 2.970483 2.426780 8.342063 8.178862 1.651984 0.000000 7.779289 8.227314 8.240117 8.603844 1.024855 6.022056 3.391536 5.505941 5.493673 4.225273 4.209954 2.119048 6.281738 6.262651 4.161349 4.134812 2.396568 2.398829 9.212192 9.213180 1.652627 1.652493 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2634259 0.3925121 0.3725267</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.53177" y3="0.002731" z3="-0.122272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.917995" y3="-1.270846" z3="-0.74626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.921381" y3="1.285117" z3="-0.725812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072532" y3="-0.01163" z3="1.466665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191236" y3="-0.011543" z3="-0.939011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742894" y3="0.003973" z3="0.037736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022706" y3="0.005771" z3="0.298753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065947" y3="1.222283" z3="0.099734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064176" y3="-1.21358" z3="0.09901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.320902" y3="1.216669" z3="0.233213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.32246" y3="-1.206254" z3="0.233269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524071" y3="0.006787" z3="0.427517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611915" y3="2.156434" z3="0.039668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.608684" y3="-2.148575" z3="0.038414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855812" y3="2.159943" z3="0.288293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.858015" y3="-2.14918" z3="0.28932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891726" y3="-0.874987" z3="0.951778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.892581" y3="0.901174" z3="0.929114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.61242" y3="-0.853685" z3="1.651767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.60824" y3="0.829175" z3="1.668753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.92629" y3="-0.843798" z3="-1.474744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930125" y3="0.808081" z3="-1.495582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212461" y3="-0.01276" z3="-0.852845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5318,.0027,-.1223;2.918,-1.2708,-.7463;2.9214,1.2851,-.7258;3.0725,-.0116,1.4667;-4.1912,-.0115,-.939;.7429,.004,.0377;-2.0227,.0058,.2988;.0659,1.2223,.0997;.0642,-1.2136,.099;-1.3209,1.2167,.2332;-1.3225,-1.2063,.2333;-3.5241,.0068,.4275;.6119,2.1564,.0397;.6087,-2.1486,.0384;-1.8558,2.1599,.2883;-1.858,-2.1492,.2893;-3.8917,-.875,.9518;-3.8926,.9012,.9291;3.6124,-.8537,1.6518;3.6082,.8292,1.6688;-3.9263,-.8438,-1.4747;-3.9301,.8081,-1.4956;-5.2125,-.0128,-.8528;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469874 0.000000 1.469887 2.556046 0.000000 1.678496 2.550792 2.551735 0.000000 6.772451 7.222476 7.232987 7.651772 0.000000 1.796018 2.640241 2.640102 2.733001 5.029903 0.000000 4.573896 5.208870 5.208690 5.227406 2.496974 2.777891 0.000000 2.759869 3.881440 2.973042 3.525705 4.552464 1.395128 2.425280 0.000000 2.759964 2.976918 3.884255 3.516443 4.542126 1.395295 2.425241 2.435864 0.000000 4.055009 5.011521 4.349871 4.725715 3.334881 2.401687 1.401106 1.393269 2.800458 0.000000 4.055015 4.352597 5.013676 4.718511 3.321363 2.401785 1.401299 2.800589 1.393139 2.422924 0.000000 6.080749 6.671605 6.671443 6.677975 1.520804 4.284733 1.506877 3.804353 3.804304 2.521017 2.521169 0.000000 2.889724 4.204989 2.584335 3.576515 5.359870 2.156444 3.410822 1.083664 3.414753 2.157869 3.884194 4.677371 0.000000 2.890018 2.592111 4.209851 3.560475 5.344296 2.156728 3.410748 3.414822 1.083687 3.884085 2.157604 4.677249 4.305011 0.000000 4.906425 5.969074 4.961381 5.512973 3.416992 3.385892 2.160653 2.146606 3.886238 1.085785 3.408633 2.727372 2.480222 4.969860 0.000000 4.906154 4.965296 5.972228 5.501414 3.394439 3.385866 2.161257 3.886430 2.146248 3.408897 1.085850 2.728193 4.970030 2.479427 4.309125 0.000000 6.571551 7.029391 7.341579 7.036432 2.100078 4.804971 2.166890 4.559353 4.060913 3.391238 2.688331 1.089745 5.504929 4.765496 3.714292 2.489659 0.000000 6.571522 7.342240 7.022554 7.045209 2.100509 4.804910 2.166918 4.057207 4.562585 2.682788 3.395729 1.089645 4.759966 5.509601 2.478625 3.722023 1.776306 0.000000 2.246879 2.531163 3.271833 1.017250 8.265494 3.402184 5.858666 4.392712 3.889810 5.535009 5.146794 7.291688 4.545625 3.647202 6.390820 5.784482 7.536753 7.741240 0.000000 2.247124 3.273960 2.532508 1.017240 8.266745 3.398733 5.853414 3.894123 4.381477 5.148531 5.524074 7.286073 3.659713 4.530159 5.790723 6.376000 7.724488 7.537544 1.682951 0.000000 6.652243 6.896179 7.209977 7.637270 1.024624 4.980722 2.736912 4.762943 4.305491 3.735062 3.135062 2.122232 5.647135 4.955611 4.051868 3.015578 2.426969 2.970622 8.161331 8.333640 0.000000 6.655123 7.195843 6.911095 7.647486 1.024565 4.983449 2.738901 4.322637 4.752291 3.156536 3.721073 2.122560 4.980479 5.629897 3.051641 4.028016 2.970482 2.426773 8.340099 8.175598 1.652014 0.000000 7.778631 8.227907 8.237719 8.603560 1.024854 6.021601 3.391321 5.504029 5.494624 4.223180 4.211435 2.119049 6.278960 6.264326 4.158116 4.137771 2.396757 2.398486 9.211882 9.212605 1.652761 1.652658 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2633305 0.3925510 0.3725696</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532124" y3="0.009006" z3="-0.122028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.914826" y3="-1.254081" z3="-0.769091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.924454" y3="1.301117" z3="-0.702705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.071729" y3="-0.037128" z3="1.46598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191234" y3="-0.032788" z3="-0.938047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743206" y3="0.012074" z3="0.037475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022287" y3="0.016435" z3="0.298104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.067832" y3="1.230913" z3="0.101132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063198" y3="-1.205011" z3="0.09657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.319209" y3="1.226469" z3="0.233913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.323209" y3="-1.196466" z3="0.231482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523483" y3="0.018911" z3="0.427418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.614949" y3="2.164449" z3="0.042576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.606422" y3="-2.140684" z3="0.034646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.853806" y3="2.169888" z3="0.288551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.859233" y3="-2.139238" z3="0.287131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.890299" y3="-0.850989" z3="0.971911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.89318" y3="0.92408" z3="0.908161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.614929" y3="-0.880473" z3="1.634035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.601359" y3="0.802186" z3="1.688527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.922266" y3="-0.875575" z3="-1.455073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.93482" y3="0.775499" z3="-1.512975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212433" y3="-0.037295" z3="-0.851213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5321,.009,-.122;2.9148,-1.2541,-.7691;2.9245,1.3011,-.7027;3.0717,-.0371,1.466;-4.1912,-.0328,-.938;.7432,.0121,.0375;-2.0223,.0164,.2981;.0678,1.2309,.1011;.0632,-1.205,.0966;-1.3192,1.2265,.2339;-1.3232,-1.1965,.2315;-3.5235,.0189,.4274;.6149,2.1644,.0426;.6064,-2.1407,.0346;-1.8538,2.1699,.2886;-1.8592,-2.1392,.2871;-3.8903,-.851,.9719;-3.8932,.9241,.9082;3.6149,-.8805,1.634;3.6014,.8022,1.6885;-3.9223,-.8756,-1.4551;-3.9348,.7755,-1.513;-5.2124,-.0373,-.8512;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469878 0.000000 1.469919 2.556079 0.000000 1.677817 2.549732 2.552604 0.000000 6.772826 7.212225 7.243460 7.650490 0.000000 1.796017 2.640006 2.639573 2.732227 5.030145 0.000000 4.573754 5.208474 5.207905 5.226452 2.496963 2.777751 0.000000 2.759636 3.877868 2.968396 3.534705 4.562507 1.394902 2.425356 0.000000 2.759930 2.980530 3.886683 3.505780 4.532630 1.395421 2.425241 2.435932 0.000000 4.054833 5.008613 4.346436 4.732336 3.347797 2.401437 1.400936 1.393389 2.800358 0.000000 4.054839 4.354929 5.015304 4.709940 3.308702 2.401724 1.401526 2.800741 1.392982 2.422939 0.000000 6.080490 6.671129 6.670617 6.676719 1.520875 4.284476 1.506757 3.804333 3.804172 2.520806 2.521256 0.000000 2.889392 4.199355 2.575771 3.592880 5.374837 2.156199 3.410905 1.083631 3.414763 2.158097 3.884313 4.677399 0.000000 2.890336 2.600151 4.214612 3.542796 5.329809 2.157101 3.410672 3.414991 1.083702 3.884003 2.157260 4.676990 4.305149 0.000000 4.906564 5.965067 4.956725 5.524324 3.438007 3.385805 2.160055 2.146973 3.886091 1.085734 3.408391 2.726501 2.480985 4.969731 0.000000 4.905749 4.968978 5.974904 5.488437 3.372896 3.385729 2.161859 3.886655 2.145888 3.409170 1.085927 2.728922 4.970222 2.478549 4.309130 0.000000 6.571439 7.035858 7.340080 7.026828 2.099513 4.804937 2.167005 4.556246 4.064689 3.386884 2.693983 1.089841 5.500345 4.770983 3.706749 2.500748 0.000000 6.571390 7.342105 7.015496 7.053016 2.100694 4.804781 2.167078 4.054017 4.565592 2.677942 3.399905 1.089551 4.755101 5.513821 2.468805 3.729146 1.776216 0.000000 2.246642 2.530760 3.270542 1.017123 8.262588 3.404767 5.862368 4.403367 3.883802 5.544842 5.143172 7.295323 4.561159 3.632808 6.404850 5.776252 7.534437 7.755966 0.000000 2.247334 3.277110 2.534783 1.017095 8.265626 3.394008 5.846031 3.897364 4.368266 5.148583 5.510804 7.277863 3.671996 4.512810 5.795634 6.358769 7.705289 7.536043 1.683595 0.000000 6.649710 6.881836 7.223685 7.625714 1.024670 4.978177 2.734819 4.772834 4.289528 3.747955 3.114889 2.122005 5.663128 4.932421 4.073523 2.981313 2.427319 2.970602 8.145669 8.324785 0.000000 6.659100 7.182633 6.926937 7.656779 1.024508 4.987048 2.741162 4.339812 4.743122 3.177486 3.708407 2.122911 5.004930 5.614458 3.085521 4.005513 2.970203 2.426049 8.345336 8.188060 1.652136 0.000000 7.778947 8.218251 8.247566 8.602135 1.024894 6.021781 3.391290 5.513303 5.485813 4.234595 4.200234 2.119106 6.293244 6.250446 4.177450 4.118003 2.394560 2.400014 9.209220 9.210751 1.652844 1.652531 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2634200 0.3926184 0.3726031</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.53167" y3="0.003977" z3="-0.122336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.917175" y3="-1.267468" z3="-0.750937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.921793" y3="1.288279" z3="-0.72129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.072357" y3="-0.016784" z3="1.466482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190925" y3="-0.015562" z3="-0.939141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742926" y3="0.005566" z3="0.037803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022733" y3="0.007831" z3="0.298955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066179" y3="1.223944" z3="0.100038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063911" y3="-1.21188" z3="0.098928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.320688" y3="1.218561" z3="0.233529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322657" y3="-1.204344" z3="0.233387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524066" y3="0.009061" z3="0.42758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.612289" y3="2.158011" z3="0.040081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.608119" y3="-2.147045" z3="0.038179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855502" y3="2.161888" z3="0.288472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.85823" y3="-2.14727" z3="0.289586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891759" y3="-0.870523" z3="0.955505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893077" y3="0.905483" z3="0.925104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.613328" y3="-0.85898" z3="1.647594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.606945" y3="0.823811" z3="1.672241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.924729" y3="-0.84969" z3="-1.471331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930601" y3="0.802085" z3="-1.498948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212157" y3="-0.017651" z3="-0.853002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5317,.004,-.1223;2.9172,-1.2675,-.7509;2.9218,1.2883,-.7213;3.0724,-.0168,1.4665;-4.1909,-.0156,-.9391;.7429,.0056,.0378;-2.0227,.0078,.299;.0662,1.2239,.1;.0639,-1.2119,.0989;-1.3207,1.2186,.2335;-1.3227,-1.2043,.2334;-3.5241,.0091,.4276;.6123,2.158,.0401;.6081,-2.147,.0382;-1.8555,2.1619,.2885;-1.8582,-2.1473,.2896;-3.8918,-.8705,.9555;-3.8931,.9055,.9251;3.6133,-.859,1.6476;3.6069,.8238,1.6722;-3.9247,-.8497,-1.4713;-3.9306,.8021,-1.4989;-5.2122,-.0177,-.853;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469804 0.000000 1.469821 2.555923 0.000000 1.678426 2.550536 2.551902 0.000000 6.772063 7.219957 7.234516 7.651294 0.000000 1.795898 2.640092 2.639893 2.732741 5.029688 0.000000 4.573848 5.208776 5.208530 5.227205 2.496896 2.777963 0.000000 2.759786 3.880654 2.972079 3.527561 4.554032 1.395100 2.425294 0.000000 2.759909 2.977663 3.884719 3.514144 4.540088 1.395340 2.425240 2.435826 0.000000 4.054937 5.010887 4.349159 4.727060 3.337136 2.401701 1.401076 1.393286 2.800406 0.000000 4.054925 4.353051 5.013974 4.716670 3.318884 2.401827 1.401347 2.800576 1.393093 2.422905 0.000000 6.080655 6.671432 6.671237 6.677783 1.520932 4.284759 1.506833 3.804350 3.804246 2.520996 2.521163 0.000000 2.889683 4.203821 2.582621 3.579984 5.362291 2.156407 3.410811 1.083657 3.414725 2.157867 3.884175 4.677347 0.000000 2.890105 2.593858 4.210859 3.556759 5.341274 2.156829 3.410700 3.414834 1.083691 3.884039 2.157473 4.677112 4.305059 0.000000 4.906386 5.968191 4.960379 5.515262 3.420895 3.385910 2.160565 2.146649 3.886179 1.085777 3.408589 2.727292 2.480263 4.969807 0.000000 4.905992 4.966007 5.972729 5.498613 3.390490 3.385869 2.161391 3.886433 2.146143 3.408946 1.085867 2.728336 4.970027 2.479129 4.309160 0.000000 6.571676 7.030725 7.341428 7.034834 2.100035 4.805208 2.166985 4.558935 4.061721 3.390565 2.689456 1.089758 5.504223 4.766539 3.713057 2.491741 0.000000 6.571698 7.342367 7.021367 7.047052 2.100583 4.805172 2.167032 4.056828 4.563283 2.682066 3.396601 1.089620 4.759245 5.510474 2.477007 3.723411 1.776267 0.000000 2.246627 2.530700 3.271170 1.017224 8.264921 3.402657 5.859639 4.394971 3.888607 5.537171 5.146184 7.292758 4.548908 3.644257 6.393822 5.782890 7.536939 7.744768 0.000000 2.246965 3.274297 2.532618 1.017212 8.266235 3.397575 5.851924 3.894734 4.378634 5.148523 5.521294 7.284525 3.662240 4.526489 5.791683 6.372377 7.721078 7.537586 1.682983 0.000000 6.650836 6.892399 7.211681 7.634376 1.024625 4.979554 2.736210 4.764085 4.301878 3.737010 3.130914 2.122227 5.649351 4.950602 4.055640 3.009147 2.427150 2.970612 8.157824 8.331193 0.000000 6.655297 7.192677 6.913497 7.648904 1.024548 4.983764 2.739207 4.325386 4.750304 3.160154 3.718617 2.122656 4.984475 5.626731 3.057772 4.023962 2.970432 2.426546 8.340906 8.177500 1.652016 0.000000 7.778251 8.225479 8.239172 8.603092 1.024860 6.021386 3.391177 5.505513 5.492654 4.225199 4.209120 2.119022 6.281344 6.261320 4.161789 4.133959 2.396151 2.398710 9.211406 9.212029 1.652903 1.652755 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2632728 0.3925831 0.3726011</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531536" y3="0.004846" z3="-0.122488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.916527" y3="-1.26506" z3="-0.754316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.921995" y3="1.29046" z3="-0.718208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.07216" y3="-0.020431" z3="1.466271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190586" y3="-0.018255" z3="-0.939286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742965" y3="0.006669" z3="0.037872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022769" y3="0.009234" z3="0.299196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066309" y3="1.225075" z3="0.100217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063737" y3="-1.2107" z3="0.099039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.320562" y3="1.219851" z3="0.233771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322778" y3="-1.203035" z3="0.233646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524062" y3="0.010575" z3="0.427682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.612468" y3="2.159109" z3="0.040247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.607706" y3="-2.146007" z3="0.038258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855299" y3="2.163226" z3="0.288558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.858326" y3="-2.145977" z3="0.290038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891867" y3="-0.867535" z3="0.957997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893541" y3="0.908322" z3="0.922426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.614008" y3="-0.862651" z3="1.644509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.605852" y3="0.820062" z3="1.674645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.923292" y3="-0.853532" z3="-1.469113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930772" y3="0.79814" z3="-1.501126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.211839" y3="-0.021088" z3="-0.853357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5315,.0048,-.1225;2.9165,-1.2651,-.7543;2.922,1.2905,-.7182;3.0722,-.0204,1.4663;-4.1906,-.0183,-.9393;.743,.0067,.0379;-2.0228,.0092,.2992;.0663,1.2251,.1002;.0637,-1.2107,.099;-1.3206,1.2199,.2338;-1.3228,-1.203,.2336;-3.5241,.0106,.4277;.6125,2.1591,.0402;.6077,-2.146,.0383;-1.8553,2.1632,.2886;-1.8583,-2.146,.29;-3.8919,-.8675,.958;-3.8935,.9083,.9224;3.614,-.8627,1.6445;3.6059,.8201,1.6746;-3.9233,-.8535,-1.4691;-3.9308,.7981,-1.5011;-5.2118,-.0211,-.8534;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469724 0.000000 1.469743 2.555781 0.000000 1.678412 2.550359 2.552045 0.000000 6.771604 7.218019 7.235360 7.650764 0.000000 1.795746 2.639929 2.639687 2.732436 5.029453 0.000000 4.573787 5.208681 5.208392 5.226973 2.496803 2.778054 0.000000 2.759692 3.880044 2.971370 3.528814 4.554953 1.395086 2.425306 0.000000 2.759830 2.978185 3.885015 3.512360 4.538646 1.395378 2.425244 2.435777 0.000000 4.054851 5.010392 4.348625 4.727935 3.338564 2.401736 1.401060 1.393297 2.800360 0.000000 4.054817 4.353347 5.014144 4.715230 3.317197 2.401876 1.401385 2.800551 1.393055 2.422887 0.000000 6.080541 6.671248 6.671044 6.677558 1.521081 4.284798 1.506782 3.804341 3.804184 2.520984 2.521140 0.000000 2.889662 4.202969 2.581418 3.582461 5.363743 2.156394 3.410791 1.083654 3.414700 2.157838 3.884146 4.677306 0.000000 2.890178 2.595168 4.211589 3.553987 5.339150 2.156921 3.410652 3.414841 1.083695 3.883998 2.157346 4.676965 4.305119 0.000000 4.906310 5.967500 4.959620 5.516812 3.423453 3.385935 2.160519 2.146666 3.886128 1.085772 3.408563 2.727276 2.480232 4.969761 0.000000 4.905824 4.966479 5.973034 5.496468 3.387901 3.385881 2.161494 3.886418 2.146054 3.408981 1.085878 2.728431 4.970009 2.478852 4.309204 0.000000 6.571803 7.031662 7.341343 7.033747 2.100045 4.805469 2.167088 4.558723 4.062311 3.390175 2.690253 1.089766 5.503805 4.767239 3.712313 2.493164 0.000000 6.571889 7.342485 7.020630 7.048358 2.100655 4.805477 2.167156 4.056695 4.563800 2.681700 3.397214 1.089604 4.758868 5.511071 2.476086 3.724346 1.776214 0.000000 2.246459 2.530371 3.270658 1.017203 8.264423 3.402923 5.860316 4.396545 3.887678 5.538681 5.145702 7.293506 4.551256 3.642101 6.395925 5.781692 7.537206 7.747325 0.000000 2.246869 3.274562 2.532722 1.017190 8.265583 3.396580 5.850699 3.895025 4.376427 5.148350 5.519130 7.283259 3.663966 4.523738 5.792192 6.369597 7.718637 7.537540 1.683003 0.000000 6.649437 6.889369 7.212386 7.631964 1.024622 4.978444 2.735556 4.764485 4.299193 3.738038 3.127972 2.122238 5.650424 4.946978 4.057934 3.004847 2.427353 2.970601 8.155097 8.328993 0.000000 6.655177 7.190273 6.914894 7.649612 1.024534 4.983850 2.739344 4.327035 4.748902 3.162420 3.716956 2.122728 4.986893 5.624543 3.061702 4.021333 2.970399 2.426341 8.341280 8.178429 1.652000 0.000000 7.777834 8.223601 8.240005 8.602634 1.024865 6.021192 3.391086 5.506457 5.491260 4.226560 4.207537 2.119116 6.282861 6.259182 4.164320 4.131410 2.395788 2.398982 9.211033 9.211406 1.653019 1.652838 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631748 0.3926179 0.3726371</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.587781" y3="0.020628" z3="-0.012004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.069176" y3="-1.2437" z3="-0.586316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.986677" y3="1.333818" z3="-0.546575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.448005" y3="-0.014074" z3="1.432565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.328925" y3="0.009131" z3="-1.005619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742682" y3="-0.013598" z3="0.100739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.093888" y3="-0.023733" z3="0.273345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="-0.007014" y3="1.188947" z3="0.140644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.010424" y3="-1.235912" z3="0.156387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.406859" y3="1.171213" z3="0.21836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.39476" y3="-1.234048" z3="0.243335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.648898" y3="0.02237" z3="0.338609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.547473" y3="2.120827" z3="0.090273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.575041" y3="-2.162608" z3="0.116661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.946235" y3="2.109241" z3="0.259912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.934976" y3="-2.165301" z3="0.296364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-4.021294" y3="-0.860998" z3="0.874719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.958211" y3="0.958207" z3="0.841153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="4.063983" y3="-0.847555" z3="1.498342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="4.007202" y3="0.843231" z3="1.592211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-4.113004" y3="-0.822745" z3="-1.545085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.059108" y3="0.805745" z3="-1.575884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.315701" y3="0.042213" z3="-0.805656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5878,.0206,-.012;3.0692,-1.2437,-.5863;2.9867,1.3338,-.5466;3.448,-.0141,1.4326;-4.3289,.0091,-1.0056;.7427,-.0136,.1007;-2.0939,-.0237,.2733;-.007,1.1889,.1406;.0104,-1.2359,.1564;-1.4069,1.1712,.2184;-1.3948,-1.234,.2433;-3.6489,.0224,.3386;.5475,2.1208,.0903;.575,-2.1626,.1167;-1.9462,2.1092,.2599;-1.935,-2.1653,.2964;-4.0213,-.861,.8747;-3.9582,.9582,.8412;4.064,-.8476,1.4983;4.0072,.8432,1.5922;-4.113,-.8227,-1.5451;-4.0591,.8057,-1.5759;-5.3157,.0422,-.8057;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469728 0.000000 1.472872 2.579143 0.000000 1.681657 2.394028 2.438571 0.000000 6.987719 7.515139 7.448728 8.150210 0.000000 1.848857 2.719885 2.696304 3.015383 5.190929 0.000000 4.690567 5.374437 5.322345 5.661843 2.575310 2.841835 0.000000 2.849778 3.988633 3.074971 3.879881 4.624370 1.417657 2.417281 0.000000 2.872284 3.147640 3.994465 3.865034 4.661581 1.425956 2.431293 2.424973 0.000000 4.163419 5.149194 4.462592 5.142850 3.374468 2.457262 1.379467 1.402112 2.794062 0.000000 4.183304 4.540390 5.139541 5.133710 3.422676 2.465459 1.398050 2.794152 1.407872 2.405421 0.000000 6.246527 6.898619 6.821606 7.180815 1.506507 4.398165 1.557062 3.829283 3.873902 2.522111 2.582403 0.000000 2.929872 4.258732 2.640961 3.843518 5.425818 2.143358 3.407264 1.085539 3.400072 2.176600 3.879547 4.698375 0.000000 2.972237 2.749415 4.298937 3.821221 5.479493 2.155598 3.423817 3.401806 1.085881 3.879772 2.181372 4.760783 4.283605 0.000000 4.999354 6.092017 5.058194 5.914509 3.418953 3.429585 2.138120 2.149824 3.876761 1.082843 3.388507 2.694491 2.499499 4.962464 0.000000 5.032763 5.164302 6.097298 5.907218 3.486303 3.440632 2.147580 3.871985 2.160541 3.378953 1.077905 2.779428 4.957411 2.516443 4.274712 0.000000 6.726322 7.249542 7.479903 7.537832 2.094620 4.900265 2.185762 4.566791 4.112336 3.375790 2.726994 1.098376 5.511830 4.836852 3.675075 2.527534 0.000000 6.667603 7.501349 7.092132 7.493139 2.109204 4.857058 2.182272 4.019441 4.586188 2.634889 3.425587 1.106352 4.713459 5.551103 2.389721 3.761194 1.820608 0.000000 2.283432 2.343580 3.178153 1.038483 8.800264 3.698624 6.332352 4.750127 4.287541 5.970250 5.614472 7.847948 4.812462 3.976320 6.811687 6.258491 8.109303 8.249137 0.000000 2.294545 3.159296 2.420031 1.035934 8.771286 3.689950 6.301931 4.282581 4.728495 5.595274 5.942705 7.801359 3.982184 4.795002 6.230668 6.785276 8.238686 8.001569 1.694341 0.000000 6.925470 7.258110 7.486873 8.166346 1.014723 5.190486 2.832303 4.873166 4.479774 3.795897 3.279706 2.116109 5.749702 5.151155 4.068101 3.152333 2.421843 2.981591 8.725032 8.863174 0.000000 6.873373 7.482774 7.140128 8.128937 1.016167 5.151657 2.823078 4.417327 4.871366 3.222934 3.816944 2.108846 5.072092 5.757704 3.087633 4.104189 2.963935 2.423941 8.841316 8.666232 1.629672 0.000000 7.943260 8.485744 8.406239 9.045184 1.007376 6.126065 3.398333 5.512952 5.561181 4.195510 4.254763 2.021873 6.284914 6.357102 4.094061 4.185316 2.305415 2.322457 9.699411 9.659603 1.655713 1.659897 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.3847079 0.3637739 0.3438627</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531622" y3="0.005996" z3="-0.122399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.916254" y3="-1.262286" z3="-0.757731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.922251" y3="1.293258" z3="-0.71449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073122" y3="-0.024175" z3="1.466058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190983" y3="-0.020946" z3="-0.939408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742945" y3="0.007817" z3="0.038177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.02292" y3="0.010455" z3="0.29917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066251" y3="1.226206" z3="0.10078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063549" y3="-1.209567" z3="0.099218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.320693" y3="1.2210" z3="0.233929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322985" y3="-1.201882" z3="0.233637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524361" y3="0.011974" z3="0.427435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.612554" y3="2.16017" z3="0.040968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.607517" y3="-2.144878" z3="0.038309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855458" y3="2.164343" z3="0.288699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.858513" y3="-2.144824" z3="0.290094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.89197" y3="-0.864767" z3="0.960219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.89384" y3="0.911165" z3="0.919608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.616311" y3="-0.866328" z3="1.640806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.606134" y3="0.816171" z3="1.676991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.923215" y3="-0.857438" z3="-1.46702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.931841" y3="0.794073" z3="-1.503483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212161" y3="-0.024236" z3="-0.853086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469737 0.000000 1.469764 2.555917 0.000000 1.678490 2.550051 2.552094 0.000000 6.772123 7.217115 7.237113 7.652026 0.000000 1.795872 2.640057 2.639743 2.733056 5.029925 0.000000 4.574013 5.208872 5.208436 5.228047 2.497110 2.778153 0.000000 2.759851 3.879710 2.970841 3.531106 4.556470 1.395101 2.425293 0.000000 2.760089 2.979105 3.885670 3.511543 4.537907 1.395467 2.425240 2.435775 0.000000 4.055063 5.010171 4.348251 4.730139 3.340316 2.401819 1.400998 1.393331 2.800344 0.000000 4.055087 4.354034 5.014649 4.715042 3.316030 2.402008 1.401416 2.800579 1.393056 2.422883 0.000000 6.080895 6.671572 6.671168 6.678834 1.521095 4.285025 1.506910 3.804413 3.804337 2.520980 2.521321 0.000000 2.889633 4.202162 2.580107 3.585616 5.365852 2.156302 3.410816 1.083657 3.414663 2.157943 3.884177 4.677410 0.000000 2.890375 2.596713 4.212539 3.551768 5.337848 2.156951 3.410676 3.414833 1.083706 3.883992 2.157367 4.677162 4.305052 0.000000 4.906519 5.967079 4.958999 5.519664 3.426136 3.386010 2.160413 2.146713 3.886097 1.085757 3.408523 2.727119 2.480417 4.969741 0.000000 4.906063 4.967414 5.973717 5.495550 3.385698 3.385986 2.161560 3.886438 2.146033 3.408984 1.085871 2.728679 4.970031 2.478850 4.309168 0.000000 6.572125 7.032872 7.341344 7.033845 2.100007 4.805622 2.167106 4.558324 4.062799 3.389599 2.690957 1.089803 5.503272 4.768017 3.711310 2.494507 0.000000 6.572037 7.342665 7.019641 7.050676 2.100730 4.805490 2.167155 4.056113 4.564150 2.680903 3.397766 1.089630 4.758110 5.511651 2.474572 3.725307 1.776397 0.000000 2.246417 2.529791 3.270008 1.017257 8.265955 3.404230 5.862565 4.399239 3.887985 5.541683 5.146783 7.296086 4.554309 3.640815 6.399485 5.782099 7.539064 7.751257 0.000000 2.246945 3.274719 2.532684 1.017239 8.266881 3.396615 5.850967 3.896580 4.375258 5.149751 5.518335 7.283685 3.666664 4.521592 5.794299 6.368150 7.717569 7.538717 1.682919 0.000000 6.649695 6.888057 7.214720 7.631907 1.024594 4.978688 2.735650 4.766068 4.297834 3.739819 3.126031 2.122244 5.652714 4.944800 4.060705 3.001301 2.427452 2.970658 8.154944 8.329277 0.000000 6.656186 7.188961 6.917389 7.652268 1.024495 4.984831 2.739998 4.329566 4.748301 3.165274 3.715851 2.122772 4.990298 5.623195 3.066092 4.019045 2.970381 2.426216 8.343745 8.181501 1.651935 0.000000 7.778238 8.222712 8.241580 8.603740 1.024825 6.021516 3.391187 5.507731 5.490446 4.227970 4.206365 2.118895 6.284764 6.257823 4.166653 4.129250 2.395302 2.399039 9.212520 9.212485 1.653034 1.652835 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2632486 0.3925550 0.3725735</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.536204" y3="0.023735" z3="-0.12438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925166" y3="-1.214552" z3="-0.819463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.954252" y3="1.338144" z3="-0.63973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.051635" y3="-0.10537" z3="1.483223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.211278" y3="-0.088256" z3="-0.930507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.744478" y3="0.033568" z3="0.037864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.018688" y3="0.045929" z3="0.284711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.077629" y3="1.255168" z3="0.106727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064451" y3="-1.183068" z3="0.091135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.311428" y3="1.254458" z3="0.229817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322824" y3="-1.170265" z3="0.218126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515779" y3="0.0501" z3="0.427371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.629754" y3="2.186035" z3="0.053703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.605139" y3="-2.12013" z3="0.026527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.846405" y3="2.197672" z3="0.281154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.862876" y3="-2.111263" z3="0.268714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.878123" y3="-0.788414" z3="1.022196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.890774" y3="0.979976" z3="0.853026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.635177" y3="-0.936227" z3="1.586212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.588561" y3="0.724079" z3="1.738344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.931909" y3="-0.951821" z3="-1.403461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.981491" y3="0.692182" z3="-1.550937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.231302" y3="-0.11038" z3="-0.843891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2568621 0.3912608 0.3712705</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531755" y3="0.009878" z3="-0.121983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.913715" y3="-1.251499" z3="-0.77199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.923645" y3="1.303121" z3="-0.699516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073818" y3="-0.040742" z3="1.465238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.190965" y3="-0.033508" z3="-0.939325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743362" y3="0.012808" z3="0.038423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022929" y3="0.016949" z3="0.29879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.067115" y3="1.231393" z3="0.101414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.062848" y3="-1.204223" z3="0.099019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.319936" y3="1.226949" z3="0.234149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.323523" y3="-1.195869" z3="0.233448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524612" y3="0.019152" z3="0.426728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.613952" y3="2.165061" z3="0.042071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.605932" y3="-2.140071" z3="0.038067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.854279" y3="2.170525" z3="0.288425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.859046" y3="-2.13882" z3="0.290542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891601" y3="-0.850379" z3="0.971752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.894895" y3="0.924524" z3="0.906719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.620282" y3="-0.883021" z3="1.627917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.601998" y3="0.799126" z3="1.689118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.919627" y3="-0.875327" z3="-1.456576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.935335" y3="0.775213" z3="-1.513914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212104" y3="-0.039942" z3="-0.852037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2636371 0.3925702 0.3725698</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531613" y3="0.006637" z3="-0.122508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.915966" y3="-1.260405" z3="-0.760323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.922638" y3="1.294949" z3="-0.71189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073123" y3="-0.027302" z3="1.465944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191076" y3="-0.022873" z3="-0.939291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743086" y3="0.008657" z3="0.03817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022909" y3="0.011543" z3="0.299036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.0664" y3="1.227058" z3="0.100616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063492" y3="-1.208655" z3="0.09941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.320571" y3="1.221996" z3="0.233681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.323017" y3="-1.20087" z3="0.233787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524382" y3="0.013125" z3="0.427344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.61274" y3="2.160998" z3="0.040737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.607282" y3="-2.144095" z3="0.038727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855241" y3="2.165399" z3="0.288204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.85851" y3="-2.143818" z3="0.290518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891816" y3="-0.862471" z3="0.962163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.89397" y3="0.913237" z3="0.91775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.617303" y3="-0.86927" z3="1.638443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.604898" y3="0.81315" z3="1.679518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.922487" y3="-0.860008" z3="-1.465473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.932715" y3="0.791297" z3="-1.504946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212279" y3="-0.026977" z3="-0.853137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2633237 0.3925512 0.3725694</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.536449" y3="0.022583" z3="-0.108216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.916695" y3="-1.213776" z3="-0.80983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.941496" y3="1.335911" z3="-0.633948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.066211" y3="-0.099794" z3="1.482882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.208389" y3="-0.074948" z3="-0.925084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.745236" y3="0.030391" z3="0.035019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.017964" y3="0.039049" z3="0.276631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.074608" y3="1.250579" z3="0.092087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.065109" y3="-1.185857" z3="0.088555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.313564" y3="1.248597" z3="0.215711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.320959" y3="-1.175433" z3="0.216558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.52329" y3="0.040951" z3="0.407758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.627268" y3="2.180847" z3="0.038888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.609625" y3="-2.121037" z3="0.033442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.848045" y3="2.192107" z3="0.270693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.856848" y3="-2.118524" z3="0.279707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.862396" y3="-0.801565" z3="1.01095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.873833" y3="0.964429" z3="0.866348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.636684" y3="-0.934391" z3="1.595393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.583601" y3="0.736151" z3="1.744316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.94889" y3="-0.932699" z3="-1.424207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.991148" y3="0.709275" z3="-1.548808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.228087" y3="-0.091547" z3="-0.808365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.471541 0.000000 1.471492 2.555867 0.000000 1.681433 2.553397 2.560815 0.000000 6.794823 7.216442 7.293569 7.662814 0.000000 1.796948 2.641393 2.641110 2.738646 5.046909 0.000000 4.570673 5.205845 5.206462 5.227156 2.501015 2.773756 0.000000 2.758397 3.868327 2.958624 3.564759 4.597360 1.393505 2.425020 0.000000 2.758000 2.989886 3.892933 3.482857 4.530383 1.394524 2.423832 2.436457 0.000000 4.053473 5.001010 4.339940 4.754610 3.381301 2.399027 1.401034 1.393667 2.800621 0.000000 4.052199 4.360350 5.019835 4.691251 3.294187 2.399194 1.401568 2.801542 1.392005 2.424042 0.000000 6.081694 6.673100 6.674994 6.678116 1.503083 4.284783 1.511028 3.808900 3.805727 2.525506 2.523175 0.000000 2.885259 4.181539 2.553875 3.637979 5.422308 2.153693 3.411901 1.083356 3.413676 2.160366 3.884813 4.684266 0.000000 2.885797 2.618549 4.222976 3.495871 5.321514 2.155699 3.410182 3.414305 1.083558 3.884111 2.157511 4.679241 4.301924 0.000000 4.906547 5.955696 4.948854 5.556270 3.484342 3.384327 2.159761 2.148249 3.886384 1.085774 3.408970 2.729964 2.486169 4.969874 0.000000 4.902640 4.979194 5.982641 5.455218 3.340280 3.383570 2.163582 3.888004 2.144837 3.411269 1.086547 2.730707 4.971259 2.478738 4.310649 0.000000 6.548051 7.031446 7.318979 6.980029 2.096643 4.782768 2.155873 4.533829 4.052628 3.366321 2.688817 1.090260 5.476931 4.763980 3.683431 2.508250 0.000000 6.551989 7.325668 6.988390 7.048184 2.097966 4.785324 2.156002 4.033801 4.554554 2.656889 3.393877 1.089035 4.735427 5.505927 2.442501 3.730546 1.771942 0.000000 2.242454 2.526170 3.256919 1.017177 8.284722 3.424331 5.887425 4.440992 3.884578 5.583361 5.151458 7.323046 4.602609 3.607063 6.450743 5.771663 7.522993 7.781060 0.000000 2.244456 3.281866 2.535380 1.017273 8.276393 3.387641 5.832459 3.912483 4.337677 5.155721 5.481141 7.264819 3.706149 4.464879 5.813274 6.316069 7.638407 7.512407 1.678007 0.000000 6.686106 6.898748 7.297159 7.639145 1.025768 5.009162 2.750567 4.822280 4.297060 3.793722 3.107580 2.117835 5.725035 4.931222 4.129242 2.947227 2.440219 2.975125 8.164492 8.340445 0.000000 6.719849 7.208502 7.020769 7.723474 1.025296 5.040111 2.770358 4.417682 4.767149 3.251746 3.714640 2.119834 5.100594 5.628614 3.178405 3.986872 2.975160 2.431429 8.412578 8.259674 1.647237 0.000000 7.796874 8.221731 8.295188 8.604955 1.026490 6.033800 3.391041 5.543527 5.479042 4.262418 4.182215 2.098295 6.337727 6.237496 4.219493 4.081395 2.383096 2.398698 9.223481 9.211249 1.650194 1.649118 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2715811 0.3916782 0.3714359</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.543622" y3="-0.010197" z3="-0.135256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.9354" y3="-1.303869" z3="-0.711736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.9284" y3="1.252823" z3="-0.780006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.084692" y3="0.032338" z3="1.424388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.203582" y3="0.032409" z3="-0.906937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.757735" y3="-0.011313" z3="0.023633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.011595" y3="-0.01489" z3="0.278659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.076408" y3="1.204905" z3="0.080571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.081154" y3="-1.228704" z3="0.091887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.31099" y3="1.198016" z3="0.209482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.306686" y3="-1.224571" z3="0.217876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514467" y3="-0.020437" z3="0.4260">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.617217" y3="2.142202" z3="0.018883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.625556" y3="-2.164367" z3="0.038836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.845173" y3="2.142161" z3="0.257528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.840058" y3="-2.168985" z3="0.268735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.865795" y3="-0.922738" z3="0.927258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.866369" y3="0.841158" z3="0.994225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.536896" y3="-0.813435" z3="1.744867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.525642" y3="0.89899" z3="1.702202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.952535" y3="-0.765662" z3="-1.50171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.957021" y3="0.878627" z3="-1.433428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.22888" y3="0.026839" z3="-0.839477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469492 0.000000 1.469346 2.557613 0.000000 1.651380 2.524036 2.524552 0.000000 6.791323 7.265591 7.236760 7.652060 0.000000 1.792942 2.636986 2.637360 2.716386 5.048023 0.000000 4.573986 5.207217 5.208783 5.223703 2.492525 2.781050 0.000000 2.758659 3.885297 2.979388 3.497218 4.546233 1.395219 2.426292 0.000000 2.756828 2.966173 3.876208 3.519521 4.576791 1.394439 2.426484 2.433640 0.000000 4.054215 5.013971 4.353679 4.707104 3.312419 2.403464 1.402417 1.393391 2.800154 0.000000 4.052688 4.343474 5.006916 4.724372 3.352195 2.402407 1.401399 2.798956 1.393553 2.422606 0.000000 6.084041 6.674012 6.677289 6.674464 1.501464 4.291118 1.510088 3.809877 3.807891 2.527216 2.523401 0.000000 2.892683 4.217011 2.602073 3.537712 5.343077 2.158100 3.410452 1.083885 3.414045 2.155411 3.882804 4.681193 0.000000 2.889590 2.576663 4.201283 3.576676 5.388959 2.157160 3.410620 3.413985 1.083814 3.883935 2.156115 4.678261 4.306623 0.000000 4.903921 5.972309 4.965320 5.487849 3.371814 3.386338 2.163565 2.145282 3.885988 1.085850 3.409755 2.737108 2.473927 4.969759 0.000000 4.903083 4.951238 5.962116 5.516749 3.437235 3.385875 2.160937 3.884762 2.146266 3.408829 1.085813 2.728486 4.968597 2.476314 4.311164 0.000000 6.560662 7.006270 7.335455 7.033390 2.095394 4.798360 2.164007 4.559024 4.045968 3.397032 2.672707 1.090338 5.506033 4.743750 3.731630 2.467872 0.000000 6.564184 7.333178 7.034646 7.011168 2.093372 4.801155 2.164495 4.063565 4.547689 2.696874 3.379635 1.090440 4.769334 5.488473 2.514073 3.700437 1.765167 0.000000 2.273027 2.576280 3.318837 1.011201 8.225723 3.365974 5.794238 4.338036 3.853173 5.468578 5.095196 7.217339 4.498815 3.634757 6.317783 5.738302 7.448507 7.622956 0.000000 2.273155 3.320853 2.577450 1.011288 8.203625 3.362671 5.789874 3.823674 4.357143 5.070566 5.483076 7.213679 3.583025 4.534472 5.698965 6.344922 7.651965 7.426062 1.712994 0.000000 6.681166 6.953947 7.207109 7.662990 1.026497 5.008229 2.738726 4.755957 4.361720 3.709713 3.188744 2.112660 5.625879 5.028775 3.998917 3.092952 2.435586 2.969678 8.162973 8.304170 0.000000 6.688319 7.265645 6.926471 7.646505 1.026679 5.014373 2.741222 4.320555 4.803570 3.130917 3.764907 2.112260 4.962810 5.694505 2.985926 4.082503 2.970871 2.429634 8.314049 8.113127 1.645713 0.000000 7.804427 8.273003 8.249109 8.616298 1.027530 6.048633 3.406301 5.511842 5.535366 4.221591 4.250603 2.131403 6.276017 6.312467 4.138536 4.187349 2.425087 2.425286 9.177348 9.157643 1.641849 1.641934 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2819872 0.3923186 0.3718236</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531697" y3="0.009834" z3="-0.122516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.914892" y3="-1.252759" z3="-0.769434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.922757" y3="1.302305" z3="-0.702341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073903" y3="-0.037379" z3="1.464983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191151" y3="-0.028969" z3="-0.939616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743446" y3="0.011739" z3="0.038927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022945" y3="0.014334" z3="0.299004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066403" y3="1.229942" z3="0.101491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063715" y3="-1.205686" z3="0.100506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32068" y3="1.224745" z3="0.233863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.322754" y3="-1.198069" z3="0.234299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524687" y3="0.015597" z3="0.42678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.612666" y3="2.16392" z3="0.041454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.607382" y3="-2.141234" z3="0.039904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855464" y3="2.168108" z3="0.28758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857913" y3="-2.141202" z3="0.291174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891889" y3="-0.85714" z3="0.966464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895365" y3="0.918204" z3="0.911726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.622129" y3="-0.878435" z3="1.628527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.600871" y3="0.80376" z3="1.687277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.919495" y3="-0.867479" z3="-1.461986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.935678" y3="0.783423" z3="-1.50907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212271" y3="-0.036259" z3="-0.852517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469519 0.000000 1.469559 2.555957 0.000000 1.678204 2.548539 2.552428 0.000000 6.772432 7.212661 7.241290 7.652658 0.000000 1.795524 2.639618 2.639022 2.732596 5.030850 0.000000 4.574108 5.208581 5.207834 5.228771 2.497433 2.778591 0.000000 2.759803 3.877655 2.968188 3.536986 4.560211 1.395106 2.425303 0.000000 2.760102 2.981312 3.886992 3.505420 4.535461 1.395690 2.425284 2.435630 0.000000 4.055098 5.008464 4.346177 4.735079 3.344915 2.402082 1.400898 1.393395 2.800238 0.000000 4.055013 4.355240 5.015329 4.710878 3.312488 2.402288 1.401561 2.800470 1.392930 2.422815 0.000000 6.081245 6.671419 6.670837 6.679974 1.520920 4.285720 1.507168 3.804783 3.804552 2.521289 2.521615 0.000000 2.889576 4.198986 2.575293 3.595808 5.371026 2.156152 3.410792 1.083661 3.414540 2.157985 3.884071 4.677762 0.000000 2.890754 2.601733 4.215429 3.541296 5.333577 2.157268 3.410605 3.414861 1.083741 3.883923 2.157029 4.677134 4.305157 0.000000 4.906475 5.964554 4.955901 5.527124 3.433451 3.386160 2.160306 2.146708 3.885966 1.085731 3.408484 2.727450 2.480375 4.969645 0.000000 4.905789 4.969294 5.974916 5.488780 3.379405 3.386126 2.161858 3.886333 2.145740 3.409033 1.085878 2.729158 4.969929 2.478067 4.309312 0.000000 6.572669 7.035775 7.340812 7.031556 2.099659 4.806413 2.167469 4.557649 4.064255 3.388520 2.693094 1.089847 5.502133 4.769785 3.709452 2.498377 0.000000 6.572816 7.342955 7.017089 7.056198 2.100497 4.806457 2.167572 4.055770 4.565447 2.680013 3.399389 1.089621 4.757261 5.513163 2.472452 3.727769 1.776191 0.000000 2.245933 2.527947 3.267674 1.017189 8.268270 3.406766 5.867838 4.406845 3.886418 5.549758 5.147611 7.302086 4.564164 3.634154 6.409647 5.780480 7.543158 7.762373 0.000000 2.246953 3.276471 2.533507 1.017165 8.264962 3.392526 5.846178 3.897282 4.366599 5.148913 5.510040 7.278985 3.672620 4.510853 5.795876 6.357690 7.708411 7.537117 1.683355 0.000000 6.646934 6.880183 7.218133 7.626521 1.024582 4.976825 2.734150 4.767706 4.292054 3.742612 3.119253 2.122059 5.655988 4.936673 4.066447 2.990997 2.428629 2.970480 8.150305 8.322668 0.000000 6.659422 7.184943 6.925184 7.658520 1.024463 4.988585 2.742111 4.337042 4.747887 3.173451 3.713895 2.122730 4.999733 5.620705 3.077757 4.013903 2.970123 2.424879 8.350253 8.186367 1.651653 0.000000 7.778436 8.218124 8.245787 8.604155 1.024854 6.022254 3.391218 5.511606 5.487426 4.232592 4.202299 2.118309 6.290459 6.252656 4.174591 4.121958 2.392895 2.399540 9.214742 9.210193 1.653375 1.653068 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2635003 0.3925462 0.3725522</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531384" y3="0.009413" z3="-0.122524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.915596" y3="-1.253703" z3="-0.767927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.922528" y3="1.301226" z3="-0.703853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073609" y3="-0.035908" z3="1.465667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.191217" y3="-0.025521" z3="-0.939529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743224" y3="0.010882" z3="0.038849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023001" y3="0.012751" z3="0.298919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065817" y3="1.228908" z3="0.099848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064038" y3="-1.206672" z3="0.101762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321259" y3="1.223413" z3="0.232231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.32243" y3="-1.199445" z3="0.235562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524776" y3="0.013547" z3="0.426443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.61188" y3="2.162942" z3="0.038958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.608197" y3="-2.142011" z3="0.042472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856287" y3="2.166668" z3="0.285627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.857323" y3="-2.142645" z3="0.293842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891131" y3="-0.861325" z3="0.963262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.894532" y3="0.914338" z3="0.915496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.623928" y3="-0.875712" z3="1.62904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.599941" y3="0.806033" z3="1.68677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.920449" y3="-0.862112" z3="-1.465498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.935775" y3="0.788875" z3="-1.506199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212391" y3="-0.032641" z3="-0.852738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2634902 0.3925384 0.3725560</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.53168" y3="0.011117" z3="-0.122415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.915071" y3="-1.248833" z3="-0.774582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.923371" y3="1.305892" z3="-0.696872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073659" y3="-0.044533" z3="1.465218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.192051" y3="-0.02875" z3="-0.939578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743466" y3="0.012876" z3="0.039077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022702" y3="0.01485" z3="0.29835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066121" y3="1.230906" z3="0.098314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.064515" y3="-1.204717" z3="0.103776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321044" y3="1.22551" z3="0.230255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.321895" y3="-1.197429" z3="0.237093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.524411" y3="0.015245" z3="0.42608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.612329" y3="2.164758" z3="0.036149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.608736" y3="-2.140123" z3="0.045943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.856219" y3="2.168766" z3="0.282203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.856689" y3="-2.140613" z3="0.296964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.890131" y3="-0.858141" z3="0.965706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.894663" y3="0.917396" z3="0.912114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.628741" y3="-0.882432" z3="1.621697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.594026" y3="0.798797" z3="1.694709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.919307" y3="-0.865572" z3="-1.464077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.939952" y3="0.785181" z3="-1.508316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.213084" y3="-0.038849" z3="-0.851328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469621 0.000000 1.469648 2.555921 0.000000 1.678516 2.547978 2.553598 0.000000 6.773323 7.212975 7.243577 7.653354 0.000000 1.795492 2.640041 2.639223 2.732576 5.031782 0.000000 4.573779 5.208616 5.207773 5.228575 2.498088 2.778293 0.000000 2.759635 3.876541 2.966786 3.541250 4.560261 1.394956 2.425281 0.000000 2.759767 2.983140 3.888091 3.500642 4.537603 1.395598 2.425218 2.435630 0.000000 4.054949 5.007669 4.345238 4.738307 3.344302 2.401923 1.400948 1.393437 2.800317 0.000000 4.054611 4.356376 5.016094 4.707266 3.314840 2.402034 1.401608 2.800475 1.392825 2.422949 0.000000 6.080879 6.671312 6.670883 6.679663 1.520757 4.285388 1.507131 3.804889 3.804284 2.521490 2.521382 0.000000 2.889155 4.196726 2.572136 3.602964 5.370809 2.155876 3.410901 1.083645 3.414387 2.158193 3.884058 4.678148 0.000000 2.890309 2.605156 4.217147 3.532943 5.336357 2.157221 3.410584 3.414821 1.083745 3.884006 2.156976 4.676859 4.304893 0.000000 4.906406 5.963387 4.954555 5.531899 3.431900 3.386050 2.160401 2.146809 3.886058 1.085745 3.408637 2.727860 2.480784 4.969743 0.000000 4.905466 4.971234 5.976210 5.483311 3.382739 3.385975 2.161848 3.886361 2.145751 3.409127 1.085903 2.728679 4.969939 2.478171 4.309405 0.000000 6.571093 7.035056 7.339688 7.028929 2.099799 4.804949 2.166741 4.557238 4.062298 3.388612 2.691065 1.089840 5.502194 4.767520 3.710275 2.495363 0.000000 6.571870 7.342341 7.016078 7.056113 2.100571 4.805475 2.166918 4.055659 4.564194 2.680182 3.398128 1.089584 4.757752 5.511740 2.473453 3.726013 1.776352 0.000000 2.245863 2.527000 3.265282 1.017191 8.273675 3.410436 5.873259 4.413519 3.887371 5.556969 5.150257 7.307729 4.571441 3.631145 6.417853 5.781684 7.547473 7.768172 0.000000 2.247434 3.278897 2.535071 1.017179 8.261192 3.388876 5.840550 3.896320 4.359195 5.146322 5.502349 7.272930 3.675213 4.501959 5.794580 6.348552 7.699967 7.530404 1.683171 0.000000 6.647095 6.879754 7.219841 7.626037 1.024578 4.977207 2.734667 4.766542 4.294650 3.740903 3.122604 2.122375 5.654140 4.940426 4.063624 2.996897 2.429970 2.970837 8.154466 8.318547 0.000000 6.663476 7.187970 6.930713 7.662967 1.024451 4.992523 2.744685 4.339188 4.753345 3.174145 3.719061 2.123055 5.001187 5.627049 3.076071 4.019862 2.970484 2.424462 8.358410 8.186598 1.651474 0.000000 7.779150 8.218081 8.248278 8.604447 1.024889 6.022955 3.391633 5.512178 5.488581 4.232776 4.203369 2.118092 6.291179 6.254121 4.174566 4.123272 2.392291 2.400493 9.219834 9.205929 1.653116 1.652732 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2635079 0.3925086 0.3725186</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531804" y3="0.016749" z3="-0.122636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.913407" y3="-1.232296" z3="-0.796372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.924905" y3="1.320787" z3="-0.674598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.074237" y3="-0.072832" z3="1.463092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.193486" y3="-0.035547" z3="-0.940458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743998" y3="0.018746" z3="0.040226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.022282" y3="0.020016" z3="0.29772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065805" y3="1.23636" z3="0.091585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.06614" y3="-1.199075" z3="0.113381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321626" y3="1.23085" z3="0.222315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.32005" y3="-1.192181" z3="0.245436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523908" y3="0.018601" z3="0.424973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611885" y3="2.16985" z3="0.023551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.610924" y3="-2.134593" z3="0.062135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.857481" y3="2.174026" z3="0.268568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.853968" y3="-2.135412" z3="0.312586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.887712" y3="-0.852304" z3="0.969808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895795" y3="0.923229" z3="0.904875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.648411" y3="-0.901914" z3="1.594861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.573048" y3="0.775403" z3="1.720207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.913699" y3="-0.870946" z3="-1.463293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.950852" y3="0.779055" z3="-1.512088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.214135" y3="-0.055274" z3="-0.849394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2632804 0.3924622 0.3724698</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.53244" y3="0.023868" z3="-0.122069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.912515" y3="-1.210374" z3="-0.823201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.928005" y3="1.339094" z3="-0.64466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073778" y3="-0.110354" z3="1.461692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.196602" y3="-0.043273" z3="-0.940446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.745183" y3="0.026164" z3="0.041301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.021467" y3="0.026325" z3="0.295276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065573" y3="1.243092" z3="0.081106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.068727" y3="-1.191922" z3="0.125736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.322246" y3="1.237341" z3="0.210148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.317248" y3="-1.185597" z3="0.25549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523162" y3="0.022331" z3="0.422991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611317" y3="2.176145" z3="0.005351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.614209" y3="-2.12758" z3="0.084165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.859008" y3="2.180394" z3="0.248102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.849983" y3="-2.128817" z3="0.332213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.883385" y3="-0.845451" z3="0.975076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.896285" y3="0.92927" z3="0.897294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.676792" y3="-0.923507" z3="1.55944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.542971" y3="0.743014" z3="1.755085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.908143" y3="-0.875478" z3="-1.463474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.967847" y3="0.772919" z3="-1.515313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.216565" y3="-0.076304" z3="-0.844824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2634274 0.3923114 0.3723164</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.533178" y3="0.031766" z3="-0.121013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.911485" y3="-1.18523" z3="-0.852579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.931542" y3="1.358611" z3="-0.611078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073589" y3="-0.151044" z3="1.45915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.199684" y3="-0.054337" z3="-0.940263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.746204" y3="0.034555" z3="0.042372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.020661" y3="0.034171" z3="0.29271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065575" y3="1.250827" z3="0.070962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.070829" y3="-1.183618" z3="0.136802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.322693" y3="1.245079" z3="0.198156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.314945" y3="-1.177618" z3="0.264733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.522124" y3="0.028279" z3="0.421134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.611384" y3="2.183225" z3="-0.011536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.616916" y3="-2.119367" z3="0.104757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.860427" y3="2.18786" z3="0.228153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.846805" y3="-2.120573" z3="0.350796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.878399" y3="-0.834506" z3="0.983632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.896055" y3="0.939502" z3="0.886441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.705328" y3="-0.945713" z3="1.522661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.512162" y3="0.704223" z3="1.792127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.902365" y3="-0.885086" z3="-1.460396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.985848" y3="0.761324" z3="-1.521269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.218615" y3="-0.10103" z3="-0.839971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2633945 0.3921488 0.3721461</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532517" y3="0.026348" z3="-0.122218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.912206" y3="-1.201893" z3="-0.833637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.927606" y3="1.344939" z3="-0.636141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073518" y3="-0.12334" z3="1.460147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.196257" y3="-0.044492" z3="-0.94007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.745534" y3="0.028141" z3="0.040483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.021237" y3="0.027553" z3="0.294984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064856" y3="1.244597" z3="0.074862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.069502" y3="-1.190101" z3="0.12874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.322925" y3="1.238569" z3="0.205254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.316333" y3="-1.18417" z3="0.259381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.522212" y3="0.023157" z3="0.424225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.6100" y3="2.177787" z3="-0.003261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.615129" y3="-2.125888" z3="0.091708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.860258" y3="2.181412" z3="0.240224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.848686" y3="-2.127284" z3="0.339689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.881697" y3="-0.843903" z3="0.977902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895474" y3="0.930455" z3="0.897782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.687951" y3="-0.928971" z3="1.548534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.52677" y3="0.732312" z3="1.771327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.905532" y3="-0.87606" z3="-1.462844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.969275" y3="0.77217" z3="-1.514953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.216132" y3="-0.080039" z3="-0.845638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469305 0.000000 1.469318 2.554524 0.000000 1.678978 2.539831 2.563505 0.000000 6.778665 7.202857 7.264456 7.656166 0.000000 1.794375 2.640367 2.636895 2.730916 5.038656 0.000000 4.572825 5.208088 5.205146 5.228470 2.502251 2.778452 0.000000 2.759043 3.862394 2.951429 3.583617 4.566062 1.394370 2.425167 0.000000 2.758472 3.001212 3.896181 3.454668 4.544389 1.396038 2.425182 2.435298 0.000000 4.054768 4.997147 4.334314 4.770562 3.348739 2.402250 1.400804 1.393906 2.800561 0.000000 4.052729 4.367556 5.020894 4.673114 3.321372 2.401856 1.402294 2.800115 1.391992 2.423352 0.000000 6.079338 6.669686 6.668706 6.678192 1.523225 4.284967 1.506536 3.805395 3.802594 2.522308 2.520063 0.000000 2.887717 4.172758 2.542729 3.675005 5.377382 2.154358 3.411138 1.083572 3.413536 2.159122 3.883619 4.679781 0.000000 2.890374 2.643217 4.233669 3.453477 5.342865 2.158581 3.410139 3.415150 1.083871 3.884393 2.155340 4.674029 4.304725 0.000000 4.906336 5.947802 4.938760 5.580523 3.435787 3.386241 2.160561 2.147332 3.886322 1.085774 3.409306 2.730204 2.482232 4.970154 0.000000 4.903716 4.989904 5.985111 5.431327 3.389232 3.386054 2.162196 3.886047 2.145288 3.409320 1.085962 2.726212 4.969546 2.476264 4.309860 0.000000 6.565800 7.040380 7.332310 7.009050 2.101577 4.801092 2.164977 4.555502 4.056218 3.388360 2.685730 1.089762 5.501693 4.759230 3.712535 2.487472 0.000000 6.570911 7.340929 7.005651 7.070615 2.102068 4.805007 2.165956 4.057105 4.561712 2.681891 3.395757 1.089390 4.760989 5.507860 2.477778 3.721636 1.776219 0.000000 2.244788 2.520120 3.243701 1.017046 8.314817 3.442107 5.922935 4.474698 3.895789 5.622411 5.173964 7.359149 4.640451 3.605161 6.493750 5.792375 7.591602 7.835131 0.000000 2.252207 3.302223 2.555428 1.017060 8.221937 3.350665 5.784173 3.889123 4.283277 5.121369 5.423517 7.211501 3.707574 4.412265 5.784829 6.254791 7.615731 7.476099 1.683887 0.000000 6.637778 6.854460 7.232431 7.603789 1.024362 4.970914 2.730759 4.756649 4.293328 3.731497 3.124891 2.125219 5.643261 4.941162 4.053606 3.007541 2.441075 2.972566 8.168977 8.263525 0.000000 6.690983 7.191377 6.976199 7.697668 1.024182 5.020198 2.761372 4.361756 4.781627 3.190581 3.743478 2.126334 5.023020 5.656577 3.084568 4.042701 2.972152 2.419047 8.420923 8.184859 1.650285 0.000000 7.783071 8.205399 8.270122 8.604464 1.024854 6.028132 3.394104 5.521849 5.488130 4.242659 4.201024 2.119567 6.304854 6.250417 4.189885 4.115325 2.385268 2.409304 9.259343 9.162246 1.652956 1.651936 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631753 0.3923804 0.3724078</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535037" y3="0.060939" z3="-0.12084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.909223" y3="-1.084883" z3="-0.959455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.941003" y3="1.421926" z3="-0.493658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.062374" y3="-0.302589" z3="1.435617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.203831" y3="-0.078757" z3="-0.936504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.752104" y3="0.063258" z3="0.042662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.01567" y3="0.055964" z3="0.285197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064086" y3="1.274018" z3="0.017674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.083345" y3="-1.154713" z3="0.18505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.325066" y3="1.266336" z3="0.144848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.301087" y3="-1.152196" z3="0.309426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514419" y3="0.040126" z3="0.420476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.606143" y3="2.204982" z3="-0.097077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.631654" y3="-2.089879" z3="0.197608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.867426" y3="2.207041" z3="0.138644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.82785" y3="-2.093644" z3="0.435687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.858191" y3="-0.811721" z3="1.006351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.894045" y3="0.956524" z3="0.8696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.80951" y3="-0.991254" z3="1.392433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.352523" y3="0.535018" z3="1.93435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.873119" y3="-0.894403" z3="-1.46022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.038024" y3="0.743569" z3="-1.523536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.218702" y3="-0.174359" z3="-0.827854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2614505 0.3925092 0.3724297</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534163" y3="0.04639" z3="-0.121161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.909937" y3="-1.13574" z3="-0.908346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.934182" y3="1.391999" z3="-0.554318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.070988" y3="-0.226486" z3="1.447313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.201355" y3="-0.064328" z3="-0.939667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.748565" y3="0.048095" z3="0.042872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.018633" y3="0.04372" z3="0.289832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.06371" y3="1.261733" z3="0.043069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.07685" y3="-1.170399" z3="0.162546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32492" y3="1.254621" z3="0.170885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.308343" y3="-1.166396" z3="0.289069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.518587" y3="0.033287" z3="0.421545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.607502" y3="2.193569" z3="-0.056299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.624697" y3="-2.105759" z3="0.154261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.865373" y3="2.196292" z3="0.182346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.837673" y3="-2.108625" z3="0.396353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.869636" y3="-0.825316" z3="0.993334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895222" y3="0.946836" z3="0.87961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.762026" y3="-0.972642" z3="1.455097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.432069" y3="0.626313" z3="1.867783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.888718" y3="-0.888259" z3="-1.461397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.008055" y3="0.755209" z3="-1.52217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.218603" y3="-0.132814" z3="-0.836075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2621976 0.3922781 0.3722763</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.536041" y3="0.057446" z3="-0.119359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.909747" y3="-1.098073" z3="-0.945931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938695" y3="1.415662" z3="-0.508218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.070636" y3="-0.281086" z3="1.43711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.205205" y3="-0.076463" z3="-0.938845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750693" y3="0.059312" z3="0.043725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.016915" y3="0.052965" z3="0.285992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.063657" y3="1.271141" z3="0.026269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080925" y3="-1.159013" z3="0.178991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.325477" y3="1.263494" z3="0.152538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.303944" y3="-1.156011" z3="0.303071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.516312" y3="0.039472" z3="0.419906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.606957" y3="2.202026" z3="-0.083574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629854" y3="-2.093834" z3="0.185442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.867521" y3="2.204337" z3="0.151996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.8318" y3="-2.097435" z3="0.424178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.862393" y3="-0.813537" z3="1.002916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.894546" y3="0.956945" z3="0.868434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.799108" y3="-0.990127" z3="1.408735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.380288" y3="0.560101" z3="1.917602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.881466" y3="-0.896606" z3="-1.459411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.031167" y3="0.743225" z3="-1.526802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.220287" y3="-0.162641" z3="-0.828288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2622826 0.3921137 0.3720528</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.527286" y3="0.0639" z3="-0.127438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.911576" y3="-1.063567" z3="-0.988596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919564" y3="1.428802" z3="-0.507153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.073786" y3="-0.30072" z3="1.423432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185483" y3="-0.035814" z3="-0.952149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743331" y3="0.052349" z3="0.055844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023013" y3="0.031847" z3="0.302439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.045919" y3="1.257961" z3="0.002188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.082863" y3="-1.167425" z3="0.222111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.342482" y3="1.242944" z3="0.133349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.303383" y3="-1.171627" z3="0.349442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.521294" y3="0.0177" z3="0.426341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.58225" y3="2.190487" z3="-0.126977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.642002" y3="-2.095168" z3="0.265967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.890935" y3="2.179462" z3="0.113902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.827022" y3="-2.111127" z3="0.497768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.875295" y3="-0.858812" z3="0.969362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.897827" y3="0.920297" z3="0.907833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.839472" y3="-0.971529" z3="1.373896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.358683" y3="0.540805" z3="1.923018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.863176" y3="-0.841319" z3="-1.49535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.984893" y3="0.805115" z3="-1.500541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.202358" y3="-0.113259" z3="-0.872209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5273,.0639,-.1274;2.9116,-1.0636,-.9886;2.9196,1.4288,-.5072;3.0738,-.3007,1.4234;-4.1855,-.0358,-.9521;.7433,.0523,.0558;-2.023,.0318,.3024;.0459,1.258,.0022;.0829,-1.1674,.2221;-1.3425,1.2429,.1333;-1.3034,-1.1716,.3494;-3.5213,.0177,.4263;.5823,2.1905,-.127;.642,-2.0952,.266;-1.8909,2.1795,.1139;-1.827,-2.1111,.4978;-3.8753,-.8588,.9694;-3.8978,.9203,.9078;3.8395,-.9715,1.3739;3.3587,.5408,1.923;-3.8632,-.8413,-1.4953;-3.9849,.8051,-1.5005;-5.2024,-.1133,-.8722;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469848 0.000000 1.470042 2.538455 0.000000 1.684283 2.534981 2.596573 0.000000 6.763975 7.171181 7.268068 7.642679 0.000000 1.793383 2.652811 2.635826 2.725065 5.031602 0.000000 4.570673 5.216979 5.199615 5.229206 2.500969 2.777389 0.000000 2.756768 3.818787 2.923432 3.690177 4.526518 1.393830 2.423630 0.000000 2.759267 3.078671 3.913962 3.337660 4.569267 1.397037 2.424752 2.435617 0.000000 4.053796 4.967470 4.313911 4.852900 3.300936 2.402944 1.399453 1.394663 2.801672 0.000000 4.053143 4.423562 5.032819 4.590376 3.360164 2.402781 1.403006 2.800732 1.392088 2.424537 0.000000 6.074054 6.674803 6.659375 6.677624 1.531093 4.280829 1.503462 3.800416 3.799497 2.516801 2.517844 0.000000 2.881933 4.093532 2.487516 3.849368 5.326218 2.151976 3.410502 1.083485 3.412744 2.161065 3.884121 4.676135 0.000000 2.893206 2.790895 4.266541 3.236255 5.387890 2.160151 3.409961 3.415900 1.084097 3.885712 2.155092 4.671506 4.304046 0.000000 4.904541 5.898885 4.908167 5.702160 3.362866 3.386345 2.159917 2.147800 3.887061 1.085470 3.410351 2.725602 2.484912 4.971052 0.000000 4.907303 5.075526 6.005917 5.305879 3.459988 3.388604 2.160764 3.886419 2.148073 3.408426 1.085752 2.721683 4.969786 2.479933 4.308200 0.000000 6.561053 7.066621 7.320067 6.986227 2.113231 4.795459 2.160788 4.559832 4.039881 3.395796 2.663997 1.090165 5.510888 4.735959 3.728352 2.446653 0.000000 6.564091 7.341671 6.981231 7.096487 2.111025 4.797871 2.161197 4.060461 4.546943 2.689556 3.379214 1.090089 4.770252 5.487720 2.498688 3.694038 1.780316 0.000000 2.246764 2.539849 3.185304 1.019173 8.407493 3.517340 6.043469 4.609040 3.934094 5.770225 5.247715 7.487143 4.781261 3.565654 6.659872 5.845976 7.726188 7.978849 0.000000 2.263410 3.354312 2.624327 1.019272 8.094041 3.250384 5.643400 3.895934 4.067202 5.079062 5.209935 7.060295 3.825246 4.132133 5.789351 5.996300 7.429590 7.336999 1.679240 0.000000 6.597622 6.797312 7.220495 7.545395 1.023614 4.942140 2.716738 4.683013 4.315929 3.653862 3.172522 2.132532 5.552126 4.997100 3.950259 3.119432 2.464803 2.979895 8.220725 8.108683 0.000000 6.696513 7.163472 7.003380 7.719938 1.023783 5.034391 2.774465 4.325587 4.837880 3.137455 3.810569 2.132563 4.966360 5.739368 2.979920 4.141752 2.980115 2.412698 8.522883 8.106708 1.650934 0.000000 7.767463 8.170224 8.275074 8.590674 1.022949 6.019961 3.392505 5.494472 5.499306 4.212965 4.220732 2.128229 6.270910 6.275345 4.146627 4.154661 2.389212 2.436922 9.356084 9.029536 1.646749 1.649374 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2509808 0.3929053 0.3732552</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.53215" y3="0.051519" z3="-0.12301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.91071" y3="-1.115015" z3="-0.932221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.929714" y3="1.403062" z3="-0.540595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.071772" y3="-0.248255" z3="1.440903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.196812" y3="-0.055941" z3="-0.943414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.747002" y3="0.049234" z3="0.046667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.019954" y3="0.040232" z3="0.293544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.05849" y3="1.260798" z3="0.03096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.078551" y3="-1.1698" z3="0.180112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.330077" y3="1.251391" z3="0.159772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.306956" y3="-1.168161" z3="0.306883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.519417" y3="0.028834" z3="0.42302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.600125" y3="2.192913" z3="-0.077231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629707" y3="-2.10325" z3="0.187222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.872857" y3="2.191677" z3="0.162096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.834638" y3="-2.109752" z3="0.426319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.871408" y3="-0.835057" z3="0.986483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895913" y3="0.939299" z3="0.887943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.785637" y3="-0.973457" z3="1.43068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.410459" y3="0.602745" z3="1.884575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.881435" y3="-0.874584" z3="-1.471495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.001275" y3="0.769964" z3="-1.516047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.214004" y3="-0.127095" z3="-0.846686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5322,.0515,-.123;2.9107,-1.115,-.9322;2.9297,1.4031,-.5406;3.0718,-.2483,1.4409;-4.1968,-.0559,-.9434;.747,.0492,.0467;-2.02,.0402,.2935;.0585,1.2608,.031;.0786,-1.1698,.1801;-1.3301,1.2514,.1598;-1.307,-1.1682,.3069;-3.5194,.0288,.423;.6001,2.1929,-.0772;.6297,-2.1033,.1872;-1.8729,2.1917,.1621;-1.8346,-2.1098,.4263;-3.8714,-.8351,.9865;-3.8959,.9393,.8879;3.7856,-.9735,1.4307;3.4105,.6027,1.8846;-3.8814,-.8746,-1.4715;-4.0013,.77,-1.516;-5.214,-.1271,-.8467;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2589361 0.3924369 0.3725693</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531754" y3="0.022043" z3="-0.123155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.913645" y3="-1.214648" z3="-0.81916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.925222" y3="1.334173" z3="-0.655417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.07255" y3="-0.100488" z3="1.461571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.19366" y3="-0.03693" z3="-0.940452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.74434" y3="0.022829" z3="0.040754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.021869" y3="0.022312" z3="0.296941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.064336" y3="1.239711" z3="0.079793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.068248" y3="-1.195455" z3="0.124159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.323162" y3="1.233441" z3="0.211125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.317854" y3="-1.189435" z3="0.255893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.522909" y3="0.019459" z3="0.425388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609417" y3="2.173232" z3="0.005067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.614131" y3="-2.130896" z3="0.083673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.860222" y3="2.176264" z3="0.249877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.8508" y3="-2.132557" z3="0.331766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.885058" y3="-0.850949" z3="0.972033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.89528" y3="0.924108" z3="0.904859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.672071" y3="-0.915237" z3="1.568809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.544659" y3="0.753525" z3="1.748858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.909161" y3="-0.869717" z3="-1.464843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.95673" y3="0.779925" z3="-1.511224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.214097" y3="-0.063407" z3="-0.849836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5318,.022,-.1232;2.9136,-1.2146,-.8192;2.9252,1.3342,-.6554;3.0726,-.1005,1.4616;-4.1937,-.0369,-.9405;.7443,.0228,.0408;-2.0219,.0223,.2969;.0643,1.2397,.0798;.0682,-1.1955,.1242;-1.3232,1.2334,.2111;-1.3179,-1.1894,.2559;-3.5229,.0195,.4254;.6094,2.1732,.0051;.6141,-2.1309,.0837;-1.8602,2.1763,.2499;-1.8508,-2.1326,.3318;-3.8851,-.8509,.972;-3.8953,.9241,.9049;3.6721,-.9152,1.5688;3.5447,.7535,1.7489;-3.9092,-.8697,-1.4648;-3.9567,.7799,-1.5112;-5.2141,-.0634,-.8498;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469581 0.000000 1.469627 2.554102 0.000000 1.678938 2.543292 2.561561 0.000000 6.775150 7.205243 7.255319 7.653206 0.000000 1.794914 2.641342 2.638280 2.730291 5.034896 0.000000 4.572960 5.209131 5.205926 5.227288 2.500266 2.778046 0.000000 2.758996 3.866595 2.955355 3.571386 4.560838 1.394537 2.425173 0.000000 2.759045 2.997750 3.894747 3.466043 4.543064 1.395805 2.425159 2.435573 0.000000 4.054579 5.000517 4.337028 4.760805 3.343610 2.401910 1.400852 1.393714 2.800557 0.000000 4.053498 4.366001 5.020237 4.681358 3.321110 2.401773 1.402017 2.800395 1.392361 2.423295 0.000000 6.079462 6.670919 6.668959 6.677435 1.522697 4.284551 1.506529 3.804837 3.803047 2.521616 2.520401 0.000000 2.887809 4.179300 2.550140 3.654891 5.371068 2.154927 3.411057 1.083585 3.413956 2.158826 3.883918 4.678838 0.000000 2.890537 2.634840 4.230142 3.473468 5.343068 2.158084 3.410320 3.415155 1.083825 3.884342 2.156055 4.675029 4.304848 0.000000 4.906045 5.952389 4.942585 5.566331 3.429292 3.385965 2.160521 2.147087 3.886295 1.085749 3.409124 2.728945 2.481745 4.970077 0.000000 4.904695 4.986695 5.983572 5.444735 3.391044 3.386019 2.161929 3.886313 2.145695 3.409237 1.085940 2.726882 4.969831 2.477385 4.309609 0.000000 6.567879 7.040100 7.335071 7.015065 2.101300 4.802301 2.165597 4.556826 4.057857 3.389243 2.686627 1.089762 5.502817 4.761318 3.712881 2.488105 0.000000 6.570944 7.342206 7.008699 7.064728 2.101855 4.804691 2.166211 4.056957 4.561973 2.681929 3.395784 1.089468 4.760487 5.508374 2.477571 3.721765 1.776357 0.000000 2.245342 2.523342 3.250356 1.017222 8.302863 3.433152 5.909111 4.458332 3.892695 5.604684 5.167038 7.344985 4.622097 3.610326 6.473270 5.789149 7.580928 7.815934 0.000000 2.250661 3.296452 2.549782 1.017231 8.230357 3.360553 5.799048 3.890347 4.303905 5.127438 5.445004 7.227790 3.697569 4.436295 5.786525 6.280811 7.640581 7.489601 1.683276 0.000000 6.639334 6.861966 7.226417 7.609198 1.024432 4.971774 2.731570 4.756498 4.295441 3.730889 3.126983 2.124335 5.642493 4.944557 4.051718 3.009887 2.437068 2.972119 8.165794 8.277815 0.000000 6.678439 7.187443 6.957073 7.682670 1.024290 5.008182 2.754474 4.348759 4.772531 3.179283 3.736944 2.125318 5.009006 5.648836 3.073529 4.039072 2.971776 2.421161 8.399928 8.179221 1.650980 0.000000 7.780333 8.208928 8.260723 8.603051 1.024795 6.025243 3.393047 5.515812 5.489387 4.236369 4.203723 2.119712 6.296565 6.254133 4.180188 4.121811 2.388676 2.406952 9.248753 9.172589 1.652643 1.652155 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2622818 0.3924941 0.3725587</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532684" y3="0.050176" z3="-0.124404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.916147" y3="-1.115876" z3="-0.927263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.941541" y3="1.399767" z3="-0.527352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.05513" y3="-0.272168" z3="1.453647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.204058" y3="-0.050895" z3="-0.931863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.75417" y3="0.052197" z3="0.039539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.01705" y3="0.042913" z3="0.285239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.062352" y3="1.261783" z3="0.01499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.084312" y3="-1.165533" z3="0.184221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.326949" y3="1.253381" z3="0.142459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.300554" y3="-1.16409" z3="0.308187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.517271" y3="0.024812" z3="0.42219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.600795" y3="2.19472" z3="-0.102285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.631182" y3="-2.1016" z3="0.195842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.868184" y3="2.194725" z3="0.132808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.82606" y3="-2.106397" z3="0.430788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.861485" y3="-0.84179" z3="0.986304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895277" y3="0.926394" z3="0.903069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.808166" y3="-0.956455" z3="1.416332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.367684" y3="0.584083" z3="1.907564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.87159" y3="-0.848636" z3="-1.482277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.035383" y3="0.789158" z3="-1.493571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.220732" y3="-0.149366" z3="-0.837685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.466732 0.000000 1.466604 2.547358 0.000000 1.693252 2.529801 2.594731 0.000000 6.785713 7.199412 7.302578 7.644307 0.000000 1.786056 2.640691 2.630951 2.720171 5.053541 0.000000 4.568144 5.210508 5.204708 5.214543 2.504624 2.782106 0.000000 2.754989 3.832135 2.933072 3.657794 4.563103 1.393669 2.425405 0.000000 2.750949 3.042557 3.905235 3.351910 4.569265 1.397322 2.426164 2.433308 0.000000 4.051628 4.976098 4.323203 4.821735 3.336625 2.405096 1.400663 1.395161 2.800812 0.000000 4.044168 4.394227 5.026615 4.591251 3.347725 2.402793 1.403834 2.797916 1.390405 2.423288 0.000000 6.074649 6.671661 6.671461 6.659471 1.520154 4.288633 1.506567 3.809148 3.800652 2.526884 2.517999 0.000000 2.886478 4.123287 2.508331 3.811852 5.368204 2.152683 3.410801 1.083534 3.411765 2.159217 3.881394 4.684234 0.000000 2.889361 2.730216 4.256799 3.287007 5.371840 2.162961 3.408822 3.415936 1.084169 3.884974 2.150152 4.667175 4.306759 0.000000 4.902335 5.913853 4.919475 5.662967 3.410666 3.387604 2.162334 2.147377 3.886672 1.085890 3.410952 2.740757 2.480147 4.970836 0.000000 4.894660 5.031299 5.995102 5.313817 3.425899 3.386767 2.162683 3.883764 2.143722 3.408864 1.085878 2.720721 4.967233 2.468454 4.311637 0.000000 6.550929 7.047918 7.320990 6.955748 2.102911 4.795815 2.162436 4.556859 4.039487 3.394950 2.668723 1.089819 5.506120 4.732442 3.731236 2.459834 0.000000 6.568268 7.342785 7.000877 7.074450 2.101765 4.809081 2.165638 4.069889 4.553025 2.698473 3.384759 1.089488 4.778499 5.491608 2.512184 3.701693 1.770465 0.000000 2.239202 2.512678 3.175016 1.018187 8.398202 3.498547 6.017578 4.573342 3.927963 5.733718 5.231646 7.457427 4.745875 3.590846 6.618029 5.834223 7.682552 7.946797 0.000000 2.260791 3.336164 2.603028 1.018281 8.111524 3.256206 5.649793 3.868635 4.100195 5.059954 5.235128 7.065531 3.780121 4.198967 5.758320 6.032788 7.425814 7.340081 1.675885 0.000000 6.608056 6.815631 7.237814 7.545291 1.024637 4.952280 2.712617 4.708670 4.304277 3.678783 3.148888 2.124959 5.582887 4.965980 3.985496 3.070175 2.468611 2.973411 8.209275 8.121009 0.000000 6.749831 7.230051 7.069929 7.751638 1.024527 5.082652 2.791902 4.392103 4.858775 3.198080 3.813240 2.126689 5.040381 5.743469 3.052455 4.119285 2.973215 2.404651 8.546108 8.149551 1.646003 0.000000 7.788713 8.194569 8.313773 8.588083 1.025764 6.042317 3.400222 5.534381 5.497307 4.253226 4.208382 2.125889 6.318682 6.254942 4.204307 4.118591 2.377801 2.438097 9.340930 9.046283 1.650655 1.648049 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2631766 0.3924125 0.3724263</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.533434" y3="0.042818" z3="-0.122292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.912395" y3="-1.145354" z3="-0.897844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.934535" y3="1.3842" z3="-0.565694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.067476" y3="-0.216073" z3="1.452828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.201124" y3="-0.055804" z3="-0.937745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.749196" y3="0.044495" z3="0.041507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.018874" y3="0.039777" z3="0.289701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.06341" y3="1.257876" z3="0.041551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.077131" y3="-1.173884" z3="0.161549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32519" y3="1.250681" z3="0.17001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.308168" y3="-1.170044" z3="0.288346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.519079" y3="0.028841" z3="0.42249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.6061" y3="2.190347" z3="-0.058306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.624402" y3="-2.109578" z3="0.153219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.86522" y3="2.192617" z3="0.180548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.837229" y3="-2.112489" z3="0.394374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.870312" y3="-0.833906" z3="0.988009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.895166" y3="0.93785" z3="0.890305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.75985" y3="-0.96143" z3="1.464149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.435836" y3="0.641064" z3="1.858785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.888429" y3="-0.874919" z3="-1.467314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.00638" y3="0.768748" z3="-1.513058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.219022" y3="-0.124533" z3="-0.838639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2625726 0.3922972 0.3723330</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532564" y3="0.007266" z3="-0.121096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.916107" y3="-1.260679" z3="-0.758249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.924515" y3="1.296357" z3="-0.708816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.076758" y3="-0.027567" z3="1.4664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.193757" y3="-0.027986" z3="-0.939262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.742982" y3="0.010135" z3="0.038373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023169" y3="0.013567" z3="0.298232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066869" y3="1.228693" z3="0.104644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.062838" y3="-1.207151" z3="0.096441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.320402" y3="1.223819" z3="0.235978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.32378" y3="-1.19902" z3="0.23017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.52509" y3="0.015407" z3="0.426287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.614098" y3="2.162251" z3="0.046683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.606539" y3="-2.142405" z3="0.031888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.855121" y3="2.167073" z3="0.292381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.859817" y3="-2.141723" z3="0.284465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.891669" y3="-0.858354" z3="0.964912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.894459" y3="0.918183" z3="0.912152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.619081" y3="-0.871073" z3="1.637792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.612076" y3="0.811102" z3="1.678484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.926483" y3="-0.868248" z3="-1.460899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.936495" y3="0.782874" z3="-1.509872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.214614" y3="-0.031218" z3="-0.850608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2642864 0.3922359 0.3722128</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534106" y3="0.063059" z3="-0.120804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.90641" y3="-1.078296" z3="-0.964634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.940672" y3="1.424858" z3="-0.486282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.058901" y3="-0.312293" z3="1.430026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.196803" y3="-0.087305" z3="-0.934747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.752352" y3="0.066558" z3="0.039947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.015877" y3="0.060676" z3="0.288497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.063901" y3="1.277202" z3="0.01482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.082126" y3="-1.150908" z3="0.181929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.324703" y3="1.270244" z3="0.14659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.301538" y3="-1.147492" z3="0.31111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514459" y3="0.045258" z3="0.42313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.605183" y3="2.20843" z3="-0.100634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.628376" y3="-2.087246" z3="0.192731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.866531" y3="2.211334" z3="0.139712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.82806" y3="-2.089198" z3="0.436702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.860981" y3="-0.800677" z3="1.015422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.897858" y3="0.96458" z3="0.862315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.807979" y3="-0.997377" z3="1.382188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.337217" y3="0.520719" z3="1.941409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.865793" y3="-0.911682" z3="-1.445192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.022364" y3="0.727076" z3="-1.530851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.212687" y3="-0.17622" z3="-0.826904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.467430 0.000000 1.467436 2.548682 0.000000 1.679695 2.518812 2.589191 0.000000 6.781611 7.172070 7.309673 7.634659 0.000000 1.788994 2.638151 2.628810 2.719562 5.046567 0.000000 4.568356 5.205430 5.198909 5.214937 2.504928 2.779371 0.000000 2.755803 3.819367 2.923819 3.674144 4.573528 1.392931 2.424935 0.000000 2.752738 3.049009 3.905427 3.334998 4.548346 1.396991 2.425059 2.433922 0.000000 4.052061 4.965156 4.314841 4.834006 3.355770 2.402996 1.400327 1.394859 2.800428 0.000000 4.045262 4.397628 5.024855 4.578532 3.325465 2.401231 1.403732 2.798455 1.389686 2.423439 0.000000 6.072999 6.664520 6.663261 6.659636 1.525450 4.284036 1.504697 3.806450 3.797950 2.524302 2.516391 0.000000 2.885094 4.104231 2.493435 3.836365 5.387506 2.151520 3.410899 1.083283 3.411537 2.160040 3.881667 4.682424 0.000000 2.890315 2.747164 4.259418 3.254045 5.343531 2.162771 3.408052 3.416108 1.084082 3.884506 2.149818 4.665163 4.305744 0.000000 4.903933 5.901035 4.911173 5.682736 3.445051 3.386527 2.160965 2.148201 3.886351 1.085945 3.410324 2.736399 2.483374 4.970429 0.000000 4.896071 5.039927 5.995106 5.294004 3.391075 3.385738 2.163145 3.884604 2.143387 3.409308 1.086190 2.720300 4.967797 2.468523 4.310946 0.000000 6.552418 7.056576 7.312360 6.949473 2.103529 4.794422 2.162119 4.552305 4.045425 3.387668 2.677141 1.089263 5.499721 4.741983 3.717110 2.475473 0.000000 6.568822 7.335471 6.985418 7.095716 2.103631 4.806993 2.165216 4.063435 4.558343 2.688274 3.391984 1.088591 4.769886 5.499889 2.490550 3.713592 1.772268 0.000000 2.237468 2.515343 3.179721 1.016241 8.382897 3.502916 6.019380 4.589284 3.917419 5.745714 5.222729 7.458216 4.768004 3.565458 6.636237 5.818157 7.680244 7.968655 0.000000 2.259904 3.344777 2.620763 1.016307 8.087239 3.240887 5.621332 3.872805 4.060262 5.051402 5.192191 7.033968 3.805564 4.146947 5.760494 5.979624 7.376828 7.328558 1.684920 0.000000 6.607785 6.791275 7.259951 7.521804 1.024558 4.948722 2.715391 4.729200 4.276776 3.708330 3.116987 2.128332 5.615386 4.925677 4.032642 3.013373 2.463121 2.974219 8.178520 8.087286 0.000000 6.739173 7.182470 7.075443 7.745412 1.024200 5.069675 2.789284 4.403328 4.827762 3.222765 3.782820 2.130935 5.064990 5.702677 3.105063 4.076473 2.973816 2.408143 8.530757 8.140185 1.648448 0.000000 7.782585 8.170216 8.316053 8.575046 1.025454 6.032583 3.394088 5.537446 5.477482 4.261029 4.187545 2.120286 6.329426 6.229742 4.222738 4.088016 2.368802 2.425626 9.323454 9.013886 1.654481 1.651773 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2630461 0.3931227 0.3729520</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.533063" y3="0.056253" z3="-0.122228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.908502" y3="-1.099674" z3="-0.946348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.935032" y3="1.412363" z3="-0.51691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.06586" y3="-0.277082" z3="1.436462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.197078" y3="-0.070513" z3="-0.939162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.749514" y3="0.056979" z3="0.043302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.018042" y3="0.04986" z3="0.291199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.06121" y3="1.268235" z3="0.023307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080048" y3="-1.161218" z3="0.18079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.327367" y3="1.26018" z3="0.153588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304591" y3="-1.158538" z3="0.308782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.517112" y3="0.036783" z3="0.423256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.602786" y3="2.199873" z3="-0.088368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.628753" y3="-2.096118" z3="0.189459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.86955" y3="2.200942" z3="0.151607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.831849" y3="-2.100126" z3="0.431058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.866588" y3="-0.818668" z3="1.000495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.896654" y3="0.951595" z3="0.8761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.795576" y3="-0.984915" z3="1.408776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.377718" y3="0.5670" z3="1.910465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.87464" y3="-0.892118" z3="-1.458858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-4.011275" y3="0.749951" z3="-1.523051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.213744" y3="-0.149747" z3="-0.837241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2609782 0.3927417 0.3727384</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.531892" y3="0.02836" z3="-0.122165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.916217" y3="-1.192381" z3="-0.84357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.92656" y3="1.3492" z3="-0.630331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.06684" y3="-0.14011" z3="1.459125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.189229" y3="-0.035867" z3="-0.938062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.744813" y3="0.0281" z3="0.038647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.021802" y3="0.024111" z3="0.297854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.060864" y3="1.24338" z3="0.059186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.071001" y3="-1.19089" z3="0.136151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.326302" y3="1.235288" z3="0.195528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.314595" y3="-1.186092" z3="0.271376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.522518" y3="0.018677" z3="0.428341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.603094" y3="2.177449" z3="-0.026637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.617601" y3="-2.126296" z3="0.108833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.865372" y3="2.177551" z3="0.221337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.846137" y3="-2.129096" z3="0.356927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.8853" y3="-0.852063" z3="0.973371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.898577" y3="0.920842" z3="0.909369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.71307" y3="-0.922828" z3="1.525959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.490231" y3="0.723007" z3="1.791526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.906953" y3="-0.871394" z3="-1.459886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.945899" y3="0.77949" z3="-1.508964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.209929" y3="-0.05714" z3="-0.847436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5319,.0284,-.1222;2.9162,-1.1924,-.8436;2.9266,1.3492,-.6303;3.0668,-.1401,1.4591;-4.1892,-.0359,-.9381;.7448,.0281,.0386;-2.0218,.0241,.2979;.0609,1.2434,.0592;.071,-1.1909,.1362;-1.3263,1.2353,.1955;-1.3146,-1.1861,.2714;-3.5225,.0187,.4283;.6031,2.1774,-.0266;.6176,-2.1263,.1088;-1.8654,2.1776,.2213;-1.8461,-2.1291,.3569;-3.8853,-.8521,.9734;-3.8986,.9208,.9094;3.7131,-.9228,1.526;3.4902,.723,1.7915;-3.907,-.8714,-1.4599;-3.9459,.7795,-1.509;-5.2099,-.0571,-.8474;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2634938 0.3927755 0.3728421</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534447" y3="-0.047175" z3="-0.120745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.91794" y3="-1.405601" z3="-0.53446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.918942" y3="1.137352" z3="-0.903176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.090314" y3="0.247062" z3="1.434713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.189696" y3="0.009577" z3="-0.936322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.740982" y3="-0.037863" z3="0.034354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.023836" y3="-0.021066" z3="0.305392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.08068" y3="1.181452" z3="0.200778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.047445" y3="-1.246705" z3="0.005213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.305544" y3="1.182924" z3="0.329606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.340838" y3="-1.232171" z3="0.142707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.527931" y3="-0.003261" z3="0.428972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.63581" y3="2.112626" z3="0.203129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.583939" y3="-2.176496" z3="-0.141967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.830122" y3="2.12534" z3="0.453315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.886019" y3="-2.170896" z3="0.124941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.908919" y3="-0.891524" z3="0.934227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.884606" y3="0.889196" z3="0.943786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.364564" y3="-0.613494" z3="1.902177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.849396" y3="0.923196" z3="1.40804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.967243" y3="-0.838204" z3="-1.466927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.880104" y3="0.811919" z3="-1.492948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.21003" y3="0.065112" z3="-0.858323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5344,-.0472,-.1207;2.9179,-1.4056,-.5345;2.9189,1.1374,-.9032;3.0903,.2471,1.4347;-4.1897,.0096,-.9363;.741,-.0379,.0344;-2.0238,-.0211,.3054;.0807,1.1815,.2008;.0474,-1.2467,.0052;-1.3055,1.1829,.3296;-1.3408,-1.2322,.1427;-3.5279,-.0033,.429;.6358,2.1126,.2031;.5839,-2.1765,-.142;-1.8301,2.1253,.4533;-1.886,-2.1709,.1249;-3.9089,-.8915,.9342;-3.8846,.8892,.9438;3.3646,-.6135,1.9022;3.8494,.9232,1.408;-3.9672,-.8382,-1.4669;-3.8801,.8119,-1.4929;-5.21,.0651,-.8583;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.470900 0.000000 1.470761 2.569545 0.000000 1.677800 2.576558 2.507530 0.000000 6.773661 7.258286 7.197619 7.660075 0.000000 1.800183 2.633135 2.646432 2.749826 5.025540 0.000000 4.578233 5.200330 5.218584 5.244214 2.496747 2.778122 0.000000 2.762946 3.909407 3.045717 3.384313 4.571914 1.396576 2.426104 0.000000 2.764040 2.925105 3.841145 3.678840 4.518639 1.393967 2.425387 2.436246 0.000000 4.057276 5.028408 4.400922 4.628246 3.361198 2.401201 1.402184 1.392198 2.799805 0.000000 4.060968 4.315765 4.985403 4.846908 3.289716 2.402517 1.399902 2.801724 1.395151 2.422573 0.000000 6.087409 6.666634 6.681152 6.698906 1.517276 4.287254 1.509269 3.804956 3.809073 2.521093 2.524984 0.000000 2.893866 4.257943 2.718045 3.319897 5.385784 2.159664 3.411277 1.084094 3.416204 2.156199 3.885673 4.675972 0.000000 2.887723 2.489155 4.124715 3.826418 5.310132 2.151629 3.412696 3.412705 1.083512 3.883070 2.162766 4.685765 4.303295 0.000000 4.909056 5.998945 5.036844 5.357402 3.460511 3.386082 2.160201 2.146128 3.885453 1.085650 3.407163 2.722883 2.478623 4.968687 0.000000 4.910303 4.909024 5.923613 5.685589 3.344797 3.385140 2.161788 3.887402 2.146333 3.409831 1.085699 2.736230 4.971347 2.484344 4.309130 0.000000 6.583529 7.001951 7.356091 7.108876 2.095178 4.812493 2.169486 4.555445 4.079465 3.383262 2.708797 1.090617 5.496724 4.795322 3.695151 2.526630 0.000000 6.573756 7.329798 7.054157 7.021599 2.098003 4.804433 2.167624 4.044870 4.572092 2.667406 3.407739 1.090289 4.741256 5.526774 2.447350 3.745534 1.780912 0.000000 2.258766 2.600789 3.336772 1.017002 8.093957 3.271589 5.651154 4.111020 3.873333 5.244998 5.061552 7.074546 4.214806 3.788585 6.048569 5.757838 7.342873 7.465056 0.000000 2.237832 3.172414 2.500665 1.016894 8.423642 3.531697 6.049985 3.965778 4.596872 5.272939 5.760660 7.499457 3.632312 4.761704 5.883331 6.641893 7.981802 7.747999 1.685423 0.000000 6.686547 6.971168 7.186111 7.707557 1.024577 5.006174 2.754208 4.821403 4.295555 3.794355 3.105501 2.117678 5.717043 4.925424 4.127616 2.939661 2.402454 2.966863 8.071973 8.512803 0.000000 6.615697 7.214534 6.832333 7.581358 1.024418 4.940569 2.715442 4.323549 4.680605 3.176115 3.647128 2.117149 4.996198 5.539265 3.116960 3.935877 2.965422 2.437963 8.126740 8.256712 1.652627 0.000000 7.780331 8.266304 8.199506 8.613178 1.024816 6.018474 3.393154 5.509948 5.487039 4.231511 4.201862 2.119259 6.284332 6.253643 4.169978 4.124995 2.412732 2.384001 9.033523 9.377948 1.652542 1.652021 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2651967 0.3922995 0.3717671</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532576" y3="0.020745" z3="-0.123634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.91848" y3="-1.213613" z3="-0.821542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.929577" y3="1.331827" z3="-0.655859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.061263" y3="-0.116143" z3="1.464023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.193754" y3="-0.02636" z3="-0.934075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.745169" y3="0.022375" z3="0.03504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.019662" y3="0.020123" z3="0.29415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.063908" y3="1.238574" z3="0.060051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.071519" y3="-1.196263" z3="0.126986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.323156" y3="1.231602" z3="0.197009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.313899" y3="-1.190622" z3="0.262153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.518755" y3="0.014647" z3="0.429709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.607452" y3="2.172226" z3="-0.021262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.617485" y3="-2.131847" z3="0.096069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.861729" y3="2.174127" z3="0.228237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.84659" y3="-2.133366" z3="0.344761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.878315" y3="-0.86043" z3="0.96961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.890671" y3="0.912132" z3="0.922039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.695341" y3="-0.906561" z3="1.553465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.498068" y3="0.748042" z3="1.775813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.918534" y3="-0.858169" z3="-1.465612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.951789" y3="0.792693" z3="-1.500255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.214414" y3="-0.044439" z3="-0.840395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5326,.0207,-.1236;2.9185,-1.2136,-.8215;2.9296,1.3318,-.6559;3.0613,-.1161,1.464;-4.1938,-.0264,-.9341;.7452,.0224,.035;-2.0197,.0201,.2942;.0639,1.2386,.0601;.0715,-1.1963,.127;-1.3232,1.2316,.197;-1.3139,-1.1906,.2622;-3.5188,.0146,.4297;.6075,2.1722,-.0213;.6175,-2.1318,.0961;-1.8617,2.1741,.2282;-1.8466,-2.1334,.3448;-3.8783,-.8604,.9696;-3.8907,.9121,.922;3.6953,-.9066,1.5535;3.4981,.748,1.7758;-3.9185,-.8582,-1.4656;-3.9518,.7927,-1.5003;-5.2144,-.0444,-.8404;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469571 0.000000 1.469629 2.550851 0.000000 1.678959 2.539417 2.570575 0.000000 6.775142 7.211526 7.256992 7.641611 0.000000 1.794437 2.642855 2.638872 2.724972 5.033341 0.000000 4.571368 5.210770 5.207500 5.215647 2.497474 2.776946 0.000000 2.758834 3.865102 2.955213 3.576385 4.551487 1.394232 2.425013 0.000000 2.756940 3.000866 3.895200 3.448608 4.548305 1.395470 2.424990 2.435768 0.000000 4.054091 5.000800 4.338568 4.758663 3.331989 2.401340 1.400798 1.393827 2.800812 0.000000 4.051125 4.368977 5.021214 4.662730 3.328668 2.400563 1.401795 2.800034 1.392008 2.423117 0.000000 6.076580 6.671750 6.670413 6.662098 1.522239 4.282157 1.505220 3.803961 3.801054 2.521067 2.518359 0.000000 2.888849 4.176746 2.549755 3.669317 5.358973 2.154993 3.410683 1.083401 3.414076 2.158626 3.883382 4.678045 0.000000 2.889550 2.641921 4.231809 3.450568 5.351849 2.158865 3.409509 3.415769 1.083675 3.884464 2.154932 4.671962 4.305683 0.000000 4.906198 5.952245 4.944463 5.568515 3.410492 3.385747 2.160791 2.147469 3.886801 1.085997 3.409223 2.729410 2.481755 4.970451 0.000000 4.902722 4.991203 5.985030 5.423004 3.403539 3.385316 2.161026 3.886007 2.145864 3.408640 1.085979 2.723474 4.969348 2.476594 4.309096 0.000000 6.562863 7.037713 7.334545 6.996868 2.102187 4.798893 2.164766 4.557877 4.052652 3.391511 2.680625 1.089283 5.504629 4.753082 3.718170 2.477642 0.000000 6.568569 7.343256 7.012966 7.048438 2.101853 4.803066 2.165779 4.060577 4.558112 2.686980 3.390689 1.089123 4.765581 5.501954 2.488091 3.713028 1.773243 0.000000 2.241558 2.517628 3.236957 1.017259 8.318680 3.445584 5.925021 4.474282 3.905234 5.621123 5.180798 7.358983 4.636136 3.619189 6.490601 5.803363 7.596268 7.826488 0.000000 2.251452 3.306095 2.564569 1.017264 8.191905 3.336965 5.759386 3.870131 4.270853 5.096141 5.404129 7.182316 3.689639 4.406025 5.758136 6.238253 7.592639 7.439712 1.681091 0.000000 6.647571 6.876476 7.235220 7.605980 1.024785 4.977694 2.733839 4.752244 4.309431 3.723901 3.143217 2.124588 5.635068 4.963523 4.036631 3.032578 2.435555 2.972477 8.190742 8.251832 0.000000 6.673678 7.189334 6.953911 7.667844 1.024673 5.001194 2.747703 4.331188 4.773979 3.159598 3.741401 2.125473 4.987707 5.655038 3.043747 4.049416 2.972953 2.426007 8.407811 8.138488 1.651561 0.000000 7.780350 8.216526 8.261523 8.590828 1.025110 6.023909 3.390841 5.506143 5.495782 4.224497 4.212287 2.119414 6.283209 6.264605 4.159868 4.136478 2.393140 2.402810 9.265936 9.131260 1.652985 1.652400 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2635775 0.3927715 0.3728332</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.52174" y3="-0.010138" z3="-0.138131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.9468" y3="-1.30808" z3="-0.715525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.937753" y3="1.261188" z3="-0.772395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.022675" y3="0.060009" z3="1.4516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.177683" y3="0.00092" z3="-0.922689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.73197" y3="-0.017154" z3="0.036286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.018865" y3="-0.012531" z3="0.300087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.076947" y3="1.199267" z3="0.125143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.063388" y3="-1.227752" z3="0.079588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.306195" y3="1.204044" z3="0.25728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.319861" y3="-1.228626" z3="0.213075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.526766" y3="0.005015" z3="0.419964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.635141" y3="2.126395" z3="0.07686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.618653" y3="-2.154569" z3="-0.002018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.829363" y3="2.152868" z3="0.331271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.849662" y3="-2.181882" z3="0.25498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.893145" y3="-0.872241" z3="0.954881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.869168" y3="0.901381" z3="0.924712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.504971" y3="-0.791365" z3="1.71247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.594785" y3="0.883763" z3="1.59735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.949784" y3="-0.830646" z3="-1.476741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.89723" y3="0.811168" z3="-1.488228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.207531" y3="0.030266" z3="-0.82334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5217,-.0101,-.1381;2.9468,-1.3081,-.7155;2.9378,1.2612,-.7724;3.0227,.06,1.4516;-4.1777,.0009,-.9227;.732,-.0172,.0363;-2.0189,-.0125,.3001;.0769,1.1993,.1251;.0634,-1.2278,.0796;-1.3062,1.204,.2573;-1.3199,-1.2286,.2131;-3.5268,.005,.42;.6351,2.1264,.0769;.6187,-2.1546,-.002;-1.8294,2.1529,.3313;-1.8497,-2.1819,.255;-3.8931,-.8722,.9549;-3.8692,.9014,.9247;3.505,-.7914,1.7125;3.5948,.8838,1.5974;-3.9498,-.8306,-1.4767;-3.8972,.8112,-1.4882;-5.2075,.0303,-.8233;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.482806 0.000000 1.480415 2.569914 0.000000 1.668263 2.563953 2.529070 0.000000 6.745215 7.246700 7.227745 7.581946 0.000000 1.798263 2.671550 2.674622 2.693770 5.002465 0.000000 4.561703 5.231419 5.228828 5.171883 2.481100 2.763459 0.000000 2.740253 3.902508 2.998936 3.425597 4.542672 1.384425 2.427239 0.000000 2.751996 2.992109 3.896494 3.506868 4.527790 1.383627 2.420983 2.427485 0.000000 4.035303 5.034389 4.367446 4.634040 3.329457 2.386268 1.410598 1.389447 2.796598 0.000000 4.045486 4.367265 5.029671 4.695971 3.311932 2.389336 1.405370 2.802404 1.389675 2.433109 0.000000 6.074218 6.702283 6.692510 6.630420 1.492122 4.276041 1.512760 3.807874 3.811138 2.528848 2.536750 0.000000 2.858365 4.215123 2.602275 3.443862 5.355372 2.146118 3.415930 1.083271 3.402530 2.156865 3.885453 4.683955 0.000000 2.870339 2.577964 4.199893 3.577245 5.338409 2.140759 3.411172 3.399681 1.083498 3.879762 2.159044 4.693226 4.281722 0.000000 4.881704 5.990465 4.973787 5.401617 3.423143 3.369931 2.173899 2.141462 3.882582 1.086024 3.421705 2.739035 2.477741 4.965670 0.000000 4.896955 4.971062 5.985781 5.495238 3.401649 3.376196 2.176407 3.893694 2.144968 3.429265 1.091396 2.760872 4.976668 2.481809 4.335469 0.000000 6.564195 7.054435 7.361804 6.996027 2.090129 4.792356 2.163511 4.554255 4.067761 3.389678 2.701681 1.090847 5.501646 4.787102 3.714750 2.526034 0.000000 6.542492 7.350477 7.024514 6.962975 2.078197 4.775298 2.156157 4.037310 4.551092 2.665690 3.397399 1.084196 4.744292 5.508012 2.465603 3.746125 1.774040 0.000000 2.236466 2.544348 3.272501 1.012670 8.160573 3.331445 5.754491 4.270078 3.834218 5.408008 5.071329 7.193755 4.407320 3.623343 6.247506 5.721005 7.437244 7.606830 0.000000 2.227639 3.251685 2.487937 1.013471 8.218349 3.382940 5.830892 3.826502 4.385528 5.090969 5.525590 7.271514 3.551833 4.543874 5.712701 6.390785 7.717863 7.494220 1.681480 0.000000 6.659260 6.954873 7.232568 7.614699 1.024897 4.986967 2.748614 4.785514 4.322662 3.759702 3.151248 2.115364 5.672680 4.979779 4.082456 3.038949 2.432637 2.961991 8.108389 8.325248 0.000000 6.610635 7.206180 6.887084 7.555920 1.027127 4.943658 2.721178 4.306701 4.722472 3.148748 3.701084 2.104358 4.972093 5.603358 3.063791 4.023638 2.966928 2.414789 8.222236 8.102860 1.642695 0.000000 7.759689 8.264134 8.237925 8.538884 1.035045 6.001573 3.381052 5.494715 5.493676 4.214964 4.215797 2.090793 6.272234 6.276344 4.153382 4.163131 2.388346 2.367645 9.111152 9.168912 1.658321 1.663962 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2609488 0.3943566 0.3738798</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.525767" y3="0.065122" z3="-0.127753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.889874" y3="-1.056873" z3="-1.003132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.91288" y3="1.437479" z3="-0.479563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.078271" y3="-0.331358" z3="1.408176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.171681" y3="-0.048999" z3="-0.949508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.744007" y3="0.061007" z3="0.059915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.025029" y3="0.042811" z3="0.315885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.046826" y3="1.267786" z3="0.012291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.08315" y3="-1.157528" z3="0.239115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.342126" y3="1.252195" z3="0.138431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.302703" y3="-1.15957" z3="0.367208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.529726" y3="0.024101" z3="0.425451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.581096" y3="2.199021" z3="-0.134953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.639422" y3="-2.087644" z3="0.268437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.888983" y3="2.189365" z3="0.104239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.825976" y3="-2.099786" z3="0.509524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.893636" y3="-0.848555" z3="0.96795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.922673" y3="0.930589" z3="0.886245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.858808" y3="-0.97728" z3="1.323067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.343545" y3="0.504446" z3="1.92316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.844885" y3="-0.86956" z3="-1.468835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.95501" y3="0.780996" z3="-1.51008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.191648" y3="-0.116464" z3="-0.878791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2512332 0.3940321 0.3740721</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.530277" y3="0.059164" z3="-0.125136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.901293" y3="-1.084315" z3="-0.968725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.926524" y3="1.421532" z3="-0.504026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.070929" y3="-0.297922" z3="1.425208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.187894" y3="-0.061914" z3="-0.942297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.747414" y3="0.058209" z3="0.049209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.020642" y3="0.047322" z3="0.300873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.055938" y3="1.267962" z3="0.018872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.081036" y3="-1.16017" z3="0.202699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.332756" y3="1.257331" z3="0.147946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304028" y3="-1.159039" z3="0.3311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.521842" y3="0.032538" z3="0.424883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.594878" y3="2.199515" z3="-0.106435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.632457" y3="-2.09341" z3="0.219103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.876564" y3="2.196954" z3="0.133887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.829897" y3="-2.100066" z3="0.461171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.876962" y3="-0.829331" z3="0.989358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.906053" y3="0.944399" z3="0.880752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.820358" y3="-0.983417" z3="1.37509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.365462" y3="0.543663" z3="1.914386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.864102" y3="-0.883278" z3="-1.461797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.990328" y3="0.7621" z3="-1.517738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205926" y3="-0.136526" z3="-0.851901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2573301 0.3932118 0.3732352</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.519093" y3="0.085349" z3="-0.140566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.895682" y3="-1.001554" z3="-1.054352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.920371" y3="1.466657" z3="-0.438807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.067055" y3="-0.406711" z3="1.368815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.153496" y3="-0.055246" z3="-0.954439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.74087" y3="0.072479" z3="0.05929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.025583" y3="0.044693" z3="0.326081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.036995" y3="1.271021" z3="-0.019154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.086057" y3="-1.144716" z3="0.264679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.350144" y3="1.253955" z3="0.125498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.296992" y3="-1.152861" z3="0.403324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.526913" y3="0.02609" z3="0.430301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.567595" y3="2.201334" z3="-0.180281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.644128" y3="-2.072993" z3="0.319238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.900366" y3="2.189189" z3="0.080739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.814369" y3="-2.094383" z3="0.56492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.892016" y3="-0.835406" z3="0.986969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.917136" y3="0.934689" z3="0.884579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.923662" y3="-0.943025" z3="1.250572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.205291" y3="0.383576" z3="1.994445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.837685" y3="-0.886995" z3="-1.463168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.905758" y3="0.761498" z3="-1.522509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.176771" y3="-0.09534" z3="-0.889696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5191,.0853,-.1406;2.8957,-1.0016,-1.0544;2.9204,1.4667,-.4388;3.0671,-.4067,1.3688;-4.1535,-.0552,-.9544;.7409,.0725,.0593;-2.0256,.0447,.3261;.037,1.271,-.0192;.0861,-1.1447,.2647;-1.3501,1.254,.1255;-1.297,-1.1529,.4033;-3.5269,.0261,.4303;.5676,2.2013,-.1803;.6441,-2.073,.3192;-1.9004,2.1892,.0807;-1.8144,-2.0944,.5649;-3.892,-.8354,.987;-3.9171,.9347,.8846;3.9237,-.943,1.2506;3.2053,.3836,1.9944;-3.8377,-.887,-1.4632;-3.9058,.7615,-1.5225;-5.1768,-.0953,-.8897;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469074 0.000000 1.469008 2.543928 0.000000 1.679469 2.500988 2.607397 0.000000 6.723511 7.113114 7.254079 7.593246 0.000000 1.789465 2.652726 2.634779 2.712123 4.999878 0.000000 4.568752 5.217190 5.202836 5.217856 2.485504 2.779427 0.000000 2.753429 3.795829 2.920315 3.731288 4.493768 1.392156 2.424313 0.000000 2.756256 3.107141 3.917588 3.263451 4.543898 1.397329 2.424354 2.432849 0.000000 4.050608 4.950394 4.312886 4.880091 3.277049 2.402626 1.399559 1.394765 2.799226 0.000000 4.048640 4.441421 5.035594 4.531425 3.347820 2.402644 1.403905 2.798788 1.390005 2.423381 0.000000 6.073186 6.671579 6.663186 6.674469 1.522080 4.284130 1.505058 3.801750 3.801549 2.517713 2.522539 0.000000 2.878770 4.054932 2.478334 3.930508 5.289629 2.149290 3.410583 1.083043 3.409681 2.160730 3.881740 4.676483 0.000000 2.895748 2.846792 4.276101 3.122288 5.358242 2.163327 3.407639 3.415487 1.084490 3.883715 2.149804 4.670767 4.304097 0.000000 4.899667 5.871230 4.902192 5.750922 3.344499 3.384826 2.162113 2.146247 3.885181 1.086006 3.411366 2.728891 2.481755 4.969661 0.000000 4.901820 5.099107 6.008847 5.227120 3.455148 3.388244 2.162707 3.885181 2.145608 3.408806 1.086396 2.728980 4.968125 2.470835 4.311706 0.000000 6.574302 7.089953 7.330822 6.982711 2.108574 4.811286 2.166776 4.570169 4.054928 3.401276 2.678726 1.088740 5.520181 4.749114 3.733109 2.465717 0.000000 6.572469 7.343226 6.984686 7.128307 2.101862 4.808485 2.163789 4.070013 4.553434 2.695845 3.384469 1.088207 4.780286 5.492804 2.507447 3.701227 1.773232 0.000000 2.228370 2.524449 3.109206 1.017541 8.419661 3.546909 6.101130 4.649772 3.967351 5.822846 5.293116 7.557982 4.816380 3.591595 6.715547 5.892431 7.820862 8.070803 0.000000 2.262318 3.362975 2.678612 1.017386 7.939788 3.148806 5.500939 3.857492 3.880385 5.000251 5.016259 6.920760 3.871837 3.924361 5.743713 5.777613 7.271361 7.229419 1.682044 0.000000 6.565315 6.746738 7.229129 7.478384 1.024865 4.919516 2.711672 4.664263 4.295070 3.646284 3.163795 2.124977 5.530829 4.966911 3.949653 3.108815 2.451282 2.972669 8.222288 7.948141 0.000000 6.606486 7.041811 6.947496 7.638363 1.025255 4.956611 2.732426 4.250293 4.770984 3.080520 3.765537 2.120806 4.887289 5.668142 2.937738 4.109419 2.974520 2.413338 8.479103 7.942217 1.650965 0.000000 7.734350 8.124828 8.258744 8.553273 1.026105 5.995600 3.380489 5.459683 5.489183 4.182618 4.224090 2.116405 6.227016 6.265421 4.110432 4.173467 2.391687 2.407425 9.387076 8.877308 1.657932 1.658342 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2464275 0.3953274 0.3751745</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.524164" y3="0.080774" z3="-0.137085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.904362" y3="-1.009643" z3="-1.045751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.919897" y3="1.461267" z3="-0.44845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.064499" y3="-0.392392" z3="1.381298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.165462" y3="-0.040755" z3="-0.947763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.743933" y3="0.067015" z3="0.055478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.021991" y3="0.038213" z3="0.315374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.039938" y3="1.266064" z3="-0.027215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.090204" y3="-1.150853" z3="0.259965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.347721" y3="1.247606" z3="0.111663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.294044" y3="-1.159109" z3="0.393091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.52275" y3="0.019072" z3="0.430798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.570407" y3="2.196972" z3="-0.186628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.650402" y3="-2.077225" z3="0.320767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.898806" y3="2.182174" z3="0.066617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.811878" y3="-2.099164" z3="0.559003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.882166" y3="-0.853127" z3="0.975256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.908591" y3="0.920421" z3="0.905164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.917805" y3="-0.93699" z3="1.277342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.208167" y3="0.405985" z3="1.995727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.855719" y3="-0.864882" z3="-1.472235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.927685" y3="0.784591" z3="-1.507075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.187395" y3="-0.084715" z3="-0.878861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2495065 0.3947312 0.3745717</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.525515" y3="0.06055" z3="-0.143644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.922223" y3="-1.083007" z3="-0.98056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.914792" y3="1.425004" z3="-0.534328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.056084" y3="-0.312196" z3="1.400572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.161793" y3="-0.01168" z3="-0.936809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.740849" y3="0.042514" z3="0.045717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.021022" y3="0.014729" z3="0.314505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.04148" y3="1.2459" z3="-0.010163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.086593" y3="-1.177817" z3="0.224057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.344968" y3="1.226718" z3="0.132615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.298186" y3="-1.185483" z3="0.360608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.523168" y3="0.006284" z3="0.434565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.573188" y3="2.179002" z3="-0.151233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.646248" y3="-2.105606" z3="0.259571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.894332" y3="2.16332" z3="0.109887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.818061" y3="-2.128625" z3="0.500838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.889663" y3="-0.874481" z3="0.959724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.897379" y3="0.897445" z3="0.937132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.912369" y3="-0.858053" z3="1.337023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.193595" y3="0.521196" z3="1.967546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.924612" y3="-0.866545" z3="-1.451852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.845103" y3="0.783003" z3="-1.502884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.185076" y3="0.039127" z3="-0.876409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5255,.0605,-.1436;2.9222,-1.083,-.9806;2.9148,1.425,-.5343;3.0561,-.3122,1.4006;-4.1618,-.0117,-.9368;.7408,.0425,.0457;-2.021,.0147,.3145;.0415,1.2459,-.0102;.0866,-1.1778,.2241;-1.345,1.2267,.1326;-1.2982,-1.1855,.3606;-3.5232,.0063,.4346;.5732,2.179,-.1512;.6462,-2.1056,.2596;-1.8943,2.1633,.1099;-1.8181,-2.1286,.5008;-3.8897,-.8745,.9597;-3.8974,.8974,.9371;3.9124,-.8581,1.337;3.1936,.5212,1.9675;-3.9246,-.8665,-1.4519;-3.8451,.783,-1.5029;-5.1851,.0391,-.8764;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.471573 0.000000 1.471702 2.547410 0.000000 1.674827 2.506363 2.604163 0.000000 6.734569 7.164701 7.232158 7.592852 0.000000 1.794775 2.660533 2.640788 2.705876 5.000419 0.000000 4.569792 5.226651 5.203042 5.202252 2.479796 2.775058 0.000000 2.755595 3.829381 2.926217 3.675006 4.484159 1.392974 2.423861 0.000000 2.759909 3.082350 3.917720 3.309284 4.555906 1.396088 2.423301 2.435425 0.000000 4.051779 4.978243 4.316212 4.831690 3.257576 2.400109 1.399660 1.393913 2.799914 0.000000 4.053092 4.429569 5.036341 4.561120 3.355794 2.400999 1.401830 2.800678 1.391517 2.423403 0.000000 6.076499 6.688213 6.663246 6.657413 1.512889 4.281864 1.506960 3.800151 3.804837 2.514993 2.525138 0.000000 2.880882 4.104443 2.489655 3.844339 5.276009 2.152088 3.410413 1.083188 3.412602 2.160264 3.883785 4.673757 0.000000 2.895938 2.786341 4.271039 3.213333 5.378951 2.160811 3.407810 3.416298 1.084097 3.883998 2.153522 4.677043 4.304877 0.000000 4.901119 5.909900 4.907932 5.683367 3.311733 3.383210 2.162027 2.145563 3.885910 1.086066 3.410679 2.722375 2.481348 4.969978 0.000000 4.906577 5.075248 6.008306 5.278846 3.470067 3.386591 2.160991 3.886699 2.146707 3.408479 1.086025 2.733060 4.969801 2.476198 4.310388 0.000000 6.576185 7.085899 7.336240 6.982400 2.101266 4.808110 2.167676 4.570621 4.055099 3.402149 2.677950 1.088970 5.520419 4.751880 3.732533 2.464749 0.000000 6.566737 7.355725 6.989219 7.073093 2.099542 4.799862 2.165078 4.066128 4.548320 2.696380 3.380350 1.089391 4.776285 5.488346 2.509775 3.697433 1.772086 0.000000 2.227009 2.530254 3.116001 1.017459 8.430822 3.540767 6.083783 4.607093 3.997187 5.782427 5.311354 7.539809 4.752761 3.658529 6.659755 5.928860 7.811166 8.014601 0.000000 2.261780 3.367260 2.674691 1.017306 7.925968 3.152543 5.493749 3.791089 3.947133 4.946038 5.066665 6.908695 3.755540 4.038099 5.659900 5.855721 7.289455 7.175320 1.678250 0.000000 6.646431 6.866448 7.271209 7.561331 1.025826 4.983535 2.742319 4.719192 4.358363 3.680604 3.206999 2.116969 5.585443 5.035573 3.967511 3.137419 2.411842 2.969789 8.318423 8.017916 0.000000 6.553949 7.039283 6.859041 7.566762 1.025794 4.896676 2.687083 4.189035 4.720738 3.020333 3.719451 2.112023 4.826704 5.623392 2.883021 4.074478 2.968783 2.443257 8.422381 7.852114 1.652251 0.000000 7.745361 8.185251 8.224691 8.557148 1.026322 5.997242 3.380845 5.433560 5.521094 4.144264 4.258849 2.116995 6.185673 6.316223 4.039056 4.234708 2.425729 2.384073 9.405728 8.861298 1.655339 1.655702 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2536297 0.3948955 0.3746555</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532982" y3="0.067376" z3="-0.137709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.921713" y3="-1.049639" z3="-1.011563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.932217" y3="1.439944" z3="-0.484242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.055629" y3="-0.36173" z3="1.398048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.180294" y3="-0.050981" z3="-0.936364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.748032" y3="0.058989" z3="0.048428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.017189" y3="0.039408" z3="0.302689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.052555" y3="1.265116" z3="-0.00549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.088903" y3="-1.159994" z3="0.223725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.335637" y3="1.249885" z3="0.128347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.296384" y3="-1.163126" z3="0.352005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.519391" y3="0.027733" z3="0.428962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.588065" y3="2.196398" z3="-0.144926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.645023" y3="-2.089684" z3="0.26047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.88215" y3="2.187932" z3="0.102546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.817873" y3="-2.104847" z3="0.495187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.879461" y3="-0.834422" z3="0.989141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.900816" y3="0.935017" z3="0.89614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.918006" y3="-0.8965" z3="1.317139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.185974" y3="0.454649" z3="1.991768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.912771" y3="-0.905099" z3="-1.435794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.915021" y3="0.742317" z3="-1.528503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.202542" y3="-0.047442" z3="-0.853524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.533,.0674,-.1377;2.9217,-1.0496,-1.0116;2.9322,1.4399,-.4842;3.0556,-.3617,1.398;-4.1803,-.051,-.9364;.748,.059,.0484;-2.0172,.0394,.3027;.0526,1.2651,-.0055;.0889,-1.16,.2237;-1.3356,1.2499,.1283;-1.2964,-1.1631,.352;-3.5194,.0277,.429;.5881,2.1964,-.1449;.645,-2.0897,.2605;-1.8821,2.1879,.1025;-1.8179,-2.1048,.4952;-3.8795,-.8344,.9891;-3.9008,.935,.8961;3.918,-.8965,1.3171;3.186,.4546,1.9918;-3.9128,-.9051,-1.4358;-3.915,.7423,-1.5285;-5.2025,-.0474,-.8535;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.470529 0.000000 1.470856 2.544838 0.000000 1.678046 2.509457 2.608500 0.000000 6.761652 7.172272 7.281146 7.609509 0.000000 1.794648 2.660362 2.638453 2.706193 5.026958 0.000000 4.571520 5.225518 5.203594 5.205210 2.494483 2.776956 0.000000 2.757641 3.821301 2.924419 3.692561 4.529420 1.393319 2.425114 0.000000 2.758731 3.092399 3.917312 3.289031 4.560895 1.396818 2.424959 2.436190 0.000000 4.054051 4.971141 4.315782 4.846924 3.304229 2.401312 1.400059 1.394712 2.801059 0.000000 4.051913 4.434472 5.035510 4.547138 3.348686 2.401118 1.402882 2.800679 1.391218 2.423673 0.000000 6.078972 6.687575 6.667198 6.657454 1.518916 4.284470 1.507545 3.805084 3.804287 2.520477 2.523059 0.000000 2.883659 4.090688 2.486445 3.874746 5.330509 2.152089 3.411790 1.083281 3.413273 2.161294 3.883876 4.680133 0.000000 2.894105 2.807682 4.271314 3.176622 5.373305 2.161566 3.409133 3.417080 1.083947 3.884996 2.153126 4.674846 4.305587 0.000000 4.903863 5.899170 4.907335 5.706204 3.372467 3.384255 2.162048 2.146239 3.886945 1.085943 3.411003 2.730122 2.482594 4.970869 0.000000 4.903983 5.084038 6.007344 5.254012 3.442199 3.386097 2.162085 3.886622 2.145282 3.409011 1.085951 2.729001 4.969808 2.474102 4.311178 0.000000 6.572858 7.092610 7.330932 6.963198 2.100441 4.805915 2.168606 4.567067 4.054599 3.399463 2.680723 1.089387 5.516409 4.751589 3.729602 2.471460 0.000000 6.573842 7.356976 6.989331 7.094054 2.099612 4.806020 2.168490 4.068297 4.556212 2.696069 3.388414 1.089451 4.777547 5.497048 2.504915 3.706776 1.772010 0.000000 2.227988 2.537500 3.110583 1.017948 8.448411 3.545606 6.093568 4.622083 3.990866 5.798359 5.309655 7.547048 4.774113 3.640420 6.680626 5.919123 7.804610 8.041497 0.000000 2.260763 3.369379 2.676906 1.017826 7.943018 3.142718 5.486194 3.803185 3.914703 4.954767 5.039599 6.898300 3.787913 3.990922 5.679728 5.816293 7.251713 7.187055 1.678273 0.000000 6.646689 6.849164 7.297846 7.542183 1.024947 4.985527 2.740009 4.741246 4.339628 3.705687 3.179353 2.121848 5.616329 5.005401 4.007089 3.091388 2.426194 2.970536 8.300590 7.999331 0.000000 6.630731 7.086555 6.961454 7.640260 1.024851 4.969679 2.729306 4.281885 4.766602 3.107410 3.744900 2.121043 4.930154 5.658149 2.980384 4.074272 2.970842 2.432329 8.493510 7.930901 1.650024 0.000000 7.769422 8.187363 8.277862 8.565381 1.025606 6.019484 3.389815 5.482519 5.513405 4.195245 4.237467 2.117409 6.250445 6.293310 4.115334 4.184247 2.401104 2.391869 9.413665 8.872147 1.654728 1.654396 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2545231 0.3935292 0.3734557</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.533067" y3="0.078405" z3="-0.143761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.921695" y3="-0.998311" z3="-1.066865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.937991" y3="1.461909" z3="-0.438759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.047353" y3="-0.433793" z3="1.371571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.175201" y3="-0.067365" z3="-0.934856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.749523" y3="0.070461" z3="0.052751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013917" y3="0.049891" z3="0.30455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.053308" y3="1.275033" z3="-0.016213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.092833" y3="-1.147754" z3="0.241263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.335481" y3="1.258939" z3="0.11379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.292475" y3="-1.151368" z3="0.369042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514861" y3="0.037852" z3="0.429593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.589417" y3="2.204645" z3="-0.164024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.651368" y3="-2.075457" z3="0.292748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.885866" y3="2.194098" z3="0.077436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.813286" y3="-2.091143" z3="0.52551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.871055" y3="-0.81778" z3="1.002913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.896586" y3="0.953757" z3="0.880338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.967685" y3="-0.860691" z3="1.27702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.079672" y3="0.3389" z3="2.034632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.920101" y3="-0.93839" z3="-1.410661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.898558" y3="0.706933" z3="-1.545688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.196954" y3="-0.047471" z3="-0.855849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.470534 0.000000 1.471418 2.539186 0.000000 1.680198 2.506080 2.623536 0.000000 6.756327 7.158912 7.292620 7.590729 0.000000 1.794355 2.667235 2.639527 2.696957 5.024666 0.000000 4.569120 5.228745 5.202663 5.195087 2.494199 2.774964 0.000000 2.756337 3.807835 2.921449 3.716226 4.530588 1.393006 2.424311 0.000000 2.757980 3.120255 3.920165 3.242919 4.557040 1.396719 2.424201 2.436750 0.000000 4.052858 4.961116 4.313823 4.863804 3.304959 2.400718 1.399451 1.394953 2.801518 0.000000 4.050936 4.454715 5.037718 4.511550 3.344447 2.400555 1.402733 2.801246 1.391194 2.424167 0.000000 6.075181 6.688967 6.664929 6.646234 1.519487 4.281127 1.506192 3.802788 3.802182 2.518032 2.521292 0.000000 2.880813 4.063690 2.478495 3.919293 5.334585 2.151132 3.411727 1.083254 3.413126 2.162585 3.884393 4.678940 0.000000 2.893174 2.857127 4.275127 3.098332 5.369843 2.161526 3.408956 3.417443 1.084087 3.885588 2.153668 4.673571 4.304853 0.000000 4.904290 5.883328 4.906339 5.737355 3.373426 3.384630 2.160001 2.147987 3.887166 1.085711 3.410175 2.725259 2.487055 4.971219 0.000000 4.903636 5.113705 6.010709 5.204655 3.436130 3.385856 2.161735 3.887001 2.145710 3.408938 1.085773 2.727118 4.970134 2.475670 4.309214 0.000000 6.567404 7.103381 7.323832 6.938856 2.100137 4.800158 2.165531 4.562796 4.049865 3.395945 2.676219 1.089805 5.512949 4.747462 3.724096 2.466532 0.000000 6.569282 7.354667 6.979232 7.098232 2.101249 4.801192 2.166322 4.063088 4.554144 2.690723 3.387384 1.089848 4.772802 5.495934 2.495214 3.706408 1.775956 0.000000 2.226802 2.570375 3.065719 1.018918 8.475162 3.566854 6.128166 4.642857 4.021154 5.828337 5.345859 7.583800 4.783889 3.666389 6.710798 5.958054 7.843649 8.080615 0.000000 2.260979 3.381179 2.720089 1.018700 7.849592 3.070750 5.387147 3.773750 3.787812 4.902008 4.910271 6.793722 3.810048 3.841867 5.650570 5.667768 7.121444 7.097790 1.673787 0.000000 6.654494 6.850691 7.330721 7.519365 1.024769 4.996473 2.748125 4.757280 4.344690 3.719203 3.180742 2.122216 5.636358 5.009277 4.020575 3.084845 2.417083 2.971440 8.333477 7.905589 0.000000 6.612583 7.046488 6.966613 7.619537 1.024297 4.956286 2.721574 4.275428 4.750186 3.102893 3.729765 2.120526 4.928901 5.641221 2.982804 4.058011 2.969996 2.438551 8.503112 7.851741 1.650995 0.000000 7.763772 8.176863 8.284294 8.548640 1.024996 6.016648 3.389356 5.478984 5.513268 4.190213 4.238384 2.118744 6.247619 6.295623 4.105966 4.187357 2.409643 2.389093 9.444632 8.775347 1.652848 1.652524 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2499719 0.3940914 0.3739867</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535178" y3="0.062828" z3="-0.139022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.924273" y3="-1.053444" z3="-1.013137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.940046" y3="1.433707" z3="-0.486833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.053145" y3="-0.369597" z3="1.39988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185717" y3="-0.065413" z3="-0.933882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.749586" y3="0.059708" z3="0.048486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.015102" y3="0.047184" z3="0.299289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.058595" y3="1.269137" z3="0.005815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.086582" y3="-1.158941" z3="0.210744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.330225" y3="1.256826" z3="0.135619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.299048" y3="-1.158214" z3="0.33858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.516198" y3="0.037779" z3="0.427918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.598173" y3="2.199436" z3="-0.124386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.640545" y3="-2.09024" z3="0.238929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.876888" y3="2.194718" z3="0.116153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.82419" y3="-2.098814" z3="0.473759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.872611" y3="-0.817712" z3="1.001257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.896304" y3="0.953271" z3="0.880758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.933566" y3="-0.876857" z3="1.323333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.160884" y3="0.448142" z3="1.997776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.929437" y3="-0.933044" z3="-1.414724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.918698" y3="0.712413" z3="-1.544171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.206586" y3="-0.051573" z3="-0.845662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2543593 0.3930988 0.3731536</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.532981" y3="0.072962" z3="-0.146152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.921733" y3="-1.011538" z3="-1.059788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938946" y3="1.453016" z3="-0.455496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.047179" y3="-0.42398" z3="1.374789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.175311" y3="-0.064897" z3="-0.935263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750236" y3="0.066979" z3="0.053027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013857" y3="0.049181" z3="0.30503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.055183" y3="1.272677" z3="-0.011031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.091611" y3="-1.150955" z3="0.237032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.333394" y3="1.258285" z3="0.119869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.293686" y3="-1.153281" z3="0.365274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515082" y3="0.03746" z3="0.429855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.592225" y3="2.20232" z3="-0.155616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.64911" y3="-2.079501" z3="0.285181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.882755" y3="2.194083" z3="0.085382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.815893" y3="-2.09305" z3="0.517415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.871936" y3="-0.818794" z3="1.001887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.897264" y3="0.952716" z3="0.881202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.969294" y3="-0.848713" z3="1.286158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.076063" y3="0.355896" z3="2.029888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.915219" y3="-0.931744" z3="-1.415528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.903494" y3="0.714037" z3="-1.542357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.1971" y3="-0.051858" z3="-0.854278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2492462 0.3940170 0.3740128</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534496" y3="0.049664" z3="-0.142851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.922495" y3="-1.084848" z3="-0.993055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938687" y3="1.411991" z3="-0.523407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.054171" y3="-0.349015" z3="1.404704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.184757" y3="-0.057145" z3="-0.932963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.75052" y3="0.05074" z3="0.046718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.01439" y3="0.044502" z3="0.300476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.062301" y3="1.262221" z3="0.014027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.083714" y3="-1.167082" z3="0.200205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.325977" y3="1.253478" z3="0.145914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.301683" y3="-1.163369" z3="0.330124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515737" y3="0.036656" z3="0.42896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.604288" y3="2.192104" z3="-0.109732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.635467" y3="-2.100074" z3="0.220273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.870867" y3="2.19236" z3="0.132523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.830493" y3="-2.103055" z3="0.457258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.870949" y3="-0.82241" z3="0.997755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893224" y3="0.950376" z3="0.88729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.948199" y3="-0.833816" z3="1.341703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136179" y3="0.479111" z3="1.992419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.920671" y3="-0.916475" z3="-1.424139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.926562" y3="0.730957" z3="-1.533912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205638" y3="-0.055571" z3="-0.84381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2541917 0.3932396 0.3733969</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.534656" y3="0.048007" z3="-0.144946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.923613" y3="-1.088973" z3="-0.991499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.939998" y3="1.409007" z3="-0.529457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050944" y3="-0.348088" z3="1.404643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.183736" y3="-0.056882" z3="-0.932498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750838" y3="0.049884" z3="0.045483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013855" y3="0.044265" z3="0.301038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.063199" y3="1.261791" z3="0.014921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.083768" y3="-1.167893" z3="0.198088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.325009" y3="1.253274" z3="0.147605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.30151" y3="-1.163938" z3="0.328546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515257" y3="0.037091" z3="0.430204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.605212" y3="2.191733" z3="-0.108302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.635289" y3="-2.100946" z3="0.217007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.869048" y3="2.192766" z3="0.136122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.830056" y3="-2.103808" z3="0.45587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.872253" y3="-0.821146" z3="0.998985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.893181" y3="0.951044" z3="0.887581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.948926" y3="-0.826006" z3="1.343899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.125338" y3="0.480112" z3="1.993393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916722" y3="-0.914782" z3="-1.424638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.92688" y3="0.732533" z3="-1.532305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.204703" y3="-0.057744" z3="-0.84326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2532414 0.3933294 0.3735032</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.53511" y3="0.04064" z3="-0.145861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.92528" y3="-1.109871" z3="-0.97341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.940169" y3="1.395633" z3="-0.551621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.049502" y3="-0.331004" z3="1.410434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.184239" y3="-0.052962" z3="-0.931145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750853" y3="0.044808" z3="0.042105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013319" y3="0.041986" z3="0.301081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.065383" y3="1.258151" z3="0.020299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.082208" y3="-1.172799" z3="0.188044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.322699" y3="1.250836" z3="0.154621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.302979" y3="-1.167433" z3="0.320024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.51467" y3="0.036697" z3="0.431398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.608325" y3="2.188089" z3="-0.09876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.632518" y3="-2.10662" z3="0.199323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.865081" y3="2.19137" z3="0.149551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.832646" y3="-2.10736" z3="0.442227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.87293" y3="-0.822278" z3="0.99827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.890914" y3="0.950078" z3="0.89129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.948833" y3="-0.807329" z3="1.357685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.121353" y3="0.505754" z3="1.987178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.915027" y3="-0.907974" z3="-1.427253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930305" y3="0.73987" z3="-1.527755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205156" y3="-0.056983" z3="-0.841246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2535909 0.3933140 0.3735153</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535324" y3="0.036536" z3="-0.145231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.926047" y3="-1.122689" z3="-0.960281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.93976" y3="1.387682" z3="-0.564143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.049739" y3="-0.317212" z3="1.415195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185083" y3="-0.051008" z3="-0.93046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750623" y3="0.041729" z3="0.040364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013422" y3="0.040504" z3="0.300743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.0664" y3="1.255887" z3="0.024279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080853" y3="-1.175812" z3="0.181132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.32165" y3="1.249271" z3="0.159104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304345" y3="-1.169648" z3="0.313754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514707" y3="0.036451" z3="0.431856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609954" y3="2.185897" z3="-0.091399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.630285" y3="-2.110189" z3="0.187104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.863039" y3="2.190394" z3="0.158321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.834764" y3="-2.109652" z3="0.431945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.873609" y3="-0.822971" z3="0.997687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889795" y3="0.94963" z3="0.893126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.94441" y3="-0.802719" z3="1.367582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.13017" y3="0.526932" z3="1.979831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.915276" y3="-0.904836" z3="-1.42833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.932371" y3="0.743311" z3="-1.525648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205935" y3="-0.056187" z3="-0.840054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469957 0.000000 1.471276 2.541471 0.000000 1.680681 2.511370 2.614677 0.000000 6.766691 7.191491 7.277871 7.610231 0.000000 1.794332 2.662635 2.639951 2.702764 5.031132 0.000000 4.570558 5.228915 5.205471 5.196688 2.498068 2.776283 0.000000 2.758829 3.847670 2.935952 3.648233 4.549132 1.393772 2.424716 0.000000 2.756942 3.066068 3.911559 3.327821 4.549618 1.396716 2.424813 2.436796 0.000000 4.054577 4.992208 4.324565 4.810476 3.328231 2.401369 1.399903 1.394598 2.801522 0.000000 4.050753 4.418323 5.032203 4.571418 3.331377 2.401056 1.402650 2.801063 1.391545 2.423919 0.000000 6.077491 6.690662 6.669182 6.647104 1.520841 4.283262 1.507005 3.804926 3.802696 2.520877 2.520779 0.000000 2.886122 4.131100 2.507714 3.806302 5.357252 2.152814 3.411538 1.083398 3.413988 2.161277 3.884376 4.680464 0.000000 2.889298 2.749939 4.258304 3.252189 5.355085 2.160270 3.409924 3.416862 1.083961 3.885461 2.154867 4.674284 4.305152 0.000000 4.906816 5.929851 4.922721 5.657138 3.406056 3.385544 2.159844 2.148023 3.887233 1.085733 3.409719 2.728058 2.485573 4.971168 0.000000 4.902747 5.057441 6.001635 5.295092 3.408542 3.386149 2.161552 3.886833 2.145822 3.408826 1.085782 2.725430 4.970139 2.477179 4.308836 0.000000 6.566539 7.082287 7.331323 6.954341 2.100165 4.800802 2.166014 4.559917 4.053273 3.392624 2.681244 1.089762 5.508333 4.753845 3.718507 2.476389 0.000000 6.572220 7.361068 6.997024 7.073512 2.100938 4.804682 2.167534 4.062039 4.559658 2.687739 3.392869 1.089659 4.769213 5.503824 2.487403 3.714168 1.775756 0.000000 2.231250 2.560935 3.088485 1.019028 8.481433 3.560178 6.111050 4.591436 4.058810 5.779487 5.366061 7.564272 4.709463 3.753189 6.644358 5.998528 7.826790 8.041803 0.000000 2.260580 3.377451 2.692387 1.018756 7.894094 3.107925 5.432540 3.707054 3.928485 4.863694 5.031810 6.840408 3.659733 4.051877 5.569303 5.830789 7.199983 7.116144 1.675055 0.000000 6.644002 6.860774 7.279696 7.546017 1.024545 4.982335 2.738687 4.757367 4.316577 3.726529 3.149912 2.122916 5.640720 4.972386 4.038513 3.039858 2.427756 2.971339 8.342794 7.956370 0.000000 6.651027 7.130181 6.968923 7.650041 1.024234 4.987489 2.740804 4.319164 4.764672 3.148055 3.734881 2.122715 4.977032 5.647461 3.035117 4.046174 2.970507 2.427932 8.532565 7.887629 1.651106 0.000000 7.772931 8.202499 8.277272 8.562151 1.024860 6.022068 3.391593 5.501465 5.499682 4.217843 4.218231 2.118157 6.277897 6.271797 4.149558 4.147227 2.395901 2.397458 9.442445 8.819434 1.652899 1.652635 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2542990 0.3932450 0.3734561</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535345" y3="0.036072" z3="-0.144987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.926211" y3="-1.124405" z3="-0.958191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.939419" y3="1.386704" z3="-0.565875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050205" y3="-0.31482" z3="1.415939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185307" y3="-0.05021" z3="-0.930499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750553" y3="0.041177" z3="0.040367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.01354" y3="0.039994" z3="0.300675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066353" y3="1.255387" z3="0.024724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080691" y3="-1.176382" z3="0.180557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321692" y3="1.24878" z3="0.159519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304534" y3="-1.170183" z3="0.313139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514823" y3="0.036048" z3="0.431875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609902" y3="2.185447" z3="-0.090633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.630052" y3="-2.110801" z3="0.186038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.863022" y3="2.189942" z3="0.159037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835005" y3="-2.110211" z3="0.430828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.873884" y3="-0.823787" z3="0.996969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889784" y3="0.948925" z3="0.893864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943719" y3="-0.802505" z3="1.368883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.132971" y3="0.530569" z3="1.978373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.915819" y3="-0.903816" z3="-1.428919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.932296" y3="0.744434" z3="-1.525125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.206145" y3="-0.05506" z3="-0.840079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544522 0.3932174 0.3734291</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535184" y3="0.035538" z3="-0.144907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.926046" y3="-1.126181" z3="-0.956362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938928" y3="1.38561" z3="-0.567894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050491" y3="-0.312606" z3="1.416488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185108" y3="-0.049872" z3="-0.93064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.75038" y3="0.04066" z3="0.040415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.0137" y3="0.039674" z3="0.300908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066342" y3="1.254966" z3="0.025622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080365" y3="-1.176878" z3="0.1798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321685" y3="1.248459" z3="0.16048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304862" y3="-1.170596" z3="0.312503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514977" y3="0.035986" z3="0.431917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609963" y3="2.18505" z3="-0.089211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629599" y3="-2.111382" z3="0.184471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862881" y3="2.189696" z3="0.160608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.83542" y3="-2.110662" z3="0.429524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874289" y3="-0.823928" z3="0.996746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889774" y3="0.948871" z3="0.894012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943109" y3="-0.801945" z3="1.369837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.1352" y3="0.533973" z3="1.976813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.91586" y3="-0.903605" z3="-1.42899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.931495" y3="0.744707" z3="-1.525117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205985" y3="-0.054236" z3="-0.840543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544335 0.3932272 0.3734424</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535203" y3="0.035213" z3="-0.144929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.926111" y3="-1.127171" z3="-0.955411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938848" y3="1.384967" z3="-0.569025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050657" y3="-0.31155" z3="1.416715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185175" y3="-0.049397" z3="-0.93061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750393" y3="0.040364" z3="0.040394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.01371" y3="0.039429" z3="0.300895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066376" y3="1.25471" z3="0.025817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080327" y3="-1.177167" z3="0.179546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321643" y3="1.248224" z3="0.160709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.30491" y3="-1.17085" z3="0.312245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.514989" y3="0.035748" z3="0.431953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609991" y3="2.184816" z3="-0.088876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629511" y3="-2.111698" z3="0.184001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862821" y3="2.189474" z3="0.160949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.83551" y3="-2.110918" z3="0.429012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874361" y3="-0.824425" z3="0.996343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889762" y3="0.948416" z3="0.894506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943163" y3="-0.801137" z3="1.370504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.13545" y3="0.535456" z3="1.976386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916125" y3="-0.902984" z3="-1.429315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.931402" y3="0.745369" z3="-1.52477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.206054" y3="-0.053589" z3="-0.840556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544788 0.3932184 0.3734352</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535139" y3="0.035175" z3="-0.144931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925997" y3="-1.127361" z3="-0.955224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938681" y3="1.384864" z3="-0.569326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050805" y3="-0.311215" z3="1.416729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185095" y3="-0.049219" z3="-0.930723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750343" y3="0.040284" z3="0.040508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013767" y3="0.039314" z3="0.300993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066304" y3="1.254625" z3="0.025951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080288" y3="-1.17725" z3="0.179648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321708" y3="1.248123" z3="0.160851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304954" y3="-1.170951" z3="0.312336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515053" y3="0.035632" z3="0.43194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609897" y3="2.184745" z3="-0.08874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629478" y3="-2.111777" z3="0.184089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862896" y3="2.18937" z3="0.161091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835539" y3="-2.111033" z3="0.429073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874498" y3="-0.824638" z3="0.996135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889846" y3="0.948223" z3="0.894625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943119" y3="-0.801142" z3="1.370475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136073" y3="0.535979" z3="1.976038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916155" y3="-0.902804" z3="-1.429491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.931057" y3="0.745559" z3="-1.524755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205987" y3="-0.053205" z3="-0.840812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544358 0.3932218 0.3734397</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535125" y3="0.035162" z3="-0.144951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925968" y3="-1.127397" z3="-0.955214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938653" y3="1.38484" z3="-0.569396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050823" y3="-0.311183" z3="1.41671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185065" y3="-0.049182" z3="-0.930744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750335" y3="0.040274" z3="0.040524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013774" y3="0.039294" z3="0.301022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066292" y3="1.254614" z3="0.025973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080286" y3="-1.177263" z3="0.179676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321719" y3="1.248106" z3="0.160879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304957" y3="-1.170968" z3="0.312367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.51506" y3="0.035607" z3="0.431942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609882" y3="2.184735" z3="-0.088725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.62948" y3="-2.111787" z3="0.184118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862909" y3="2.189352" z3="0.161126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835536" y3="-2.111052" z3="0.429112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874525" y3="-0.824685" z3="0.996092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889865" y3="0.94818" z3="0.894654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943156" y3="-0.801077" z3="1.370452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136059" y3="0.536024" z3="1.976007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916169" y3="-0.902779" z3="-1.429517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930949" y3="0.745584" z3="-1.524759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.20596" y3="-0.053099" z3="-0.840868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544196 0.3932239 0.3734420</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535117" y3="0.035151" z3="-0.144961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925951" y3="-1.127433" z3="-0.955191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938643" y3="1.384816" z3="-0.569445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050826" y3="-0.311143" z3="1.41671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185049" y3="-0.049166" z3="-0.930752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.75033" y3="0.040267" z3="0.040525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013776" y3="0.039283" z3="0.301037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066287" y3="1.254607" z3="0.025989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080283" y3="-1.177271" z3="0.179676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321723" y3="1.248097" z3="0.160902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.30496" y3="-1.170979" z3="0.312371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515063" y3="0.035595" z3="0.431943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609876" y3="2.184728" z3="-0.088709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629478" y3="-2.111794" z3="0.184108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862913" y3="2.189343" z3="0.161162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835537" y3="-2.111064" z3="0.429116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874536" y3="-0.824704" z3="0.996076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889869" y3="0.948162" z3="0.894667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943148" y3="-0.801057" z3="1.370465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136074" y3="0.536083" z3="1.975973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916167" y3="-0.902762" z3="-1.429534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930905" y3="0.7456" z3="-1.524756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205946" y3="-0.053059" z3="-0.840892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544121 0.3932251 0.3734434</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535114" y3="0.035152" z3="-0.144967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925944" y3="-1.127427" z3="-0.955204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938636" y3="1.384819" z3="-0.569447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050829" y3="-0.311149" z3="1.416701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.18504" y3="-0.049157" z3="-0.930758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750327" y3="0.040267" z3="0.040529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013777" y3="0.039278" z3="0.301045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066282" y3="1.254606" z3="0.025989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080284" y3="-1.177272" z3="0.17969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321728" y3="1.248093" z3="0.160903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304958" y3="-1.170983" z3="0.312386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515065" y3="0.035587" z3="0.431944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.60987" y3="2.184728" z3="-0.088716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629483" y3="-2.111793" z3="0.184126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862919" y3="2.189339" z3="0.161163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835532" y3="-2.111068" z3="0.429139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874543" y3="-0.824718" z3="0.996064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889875" y3="0.94815" z3="0.894674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943161" y3="-0.801044" z3="1.370451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136058" y3="0.536074" z3="1.975973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916178" y3="-0.902761" z3="-1.429537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930867" y3="0.745601" z3="-1.52476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205938" y3="-0.053021" z3="-0.840907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544071 0.3932257 0.3734441</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535114" y3="0.035143" z3="-0.144968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925945" y3="-1.127453" z3="-0.955179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938635" y3="1.384802" z3="-0.569476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050829" y3="-0.311123" z3="1.416708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.185041" y3="-0.049151" z3="-0.930757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750327" y3="0.04026" z3="0.040526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013777" y3="0.039274" z3="0.301046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066284" y3="1.2546" z3="0.025997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080282" y3="-1.177279" z3="0.179678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321726" y3="1.248089" z3="0.160913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.30496" y3="-1.170988" z3="0.312376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515065" y3="0.035585" z3="0.431945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609873" y3="2.184722" z3="-0.088702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629479" y3="-2.1118" z3="0.184105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862915" y3="2.189336" z3="0.16118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835536" y3="-2.111073" z3="0.429121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874543" y3="-0.824722" z3="0.996061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889872" y3="0.948146" z3="0.89468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943157" y3="-0.801026" z3="1.37047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136065" y3="0.536113" z3="1.975959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916181" y3="-0.902753" z3="-1.42954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930865" y3="0.74561" z3="-1.524755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205938" y3="-0.053013" z3="-0.840906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469974 0.000000 1.471263 2.541722 0.000000 1.680682 2.511541 2.614130 0.000000 6.766465 7.192318 7.275541 7.611638 0.000000 1.794408 2.662385 2.639808 2.703637 5.030829 0.000000 4.570706 5.228786 5.205251 5.197857 2.497908 2.776354 0.000000 2.758881 3.848966 2.936314 3.645967 4.548506 1.393824 2.424732 0.000000 2.757093 3.064014 3.910968 3.332359 4.549584 1.396684 2.424833 2.436770 0.000000 4.054628 4.993152 4.324677 4.809095 3.327634 2.401405 1.399931 1.394567 2.801497 0.000000 4.050936 4.416916 5.031682 4.575130 3.331481 2.401089 1.402599 2.801036 1.391598 2.423872 0.000000 6.077622 6.690544 6.668844 6.648378 1.520856 4.283317 1.506989 3.804846 3.802788 2.520786 2.520849 0.000000 2.886244 4.133458 2.508814 3.801811 5.356346 2.152938 3.411508 1.083407 3.414022 2.161172 3.884358 4.680275 0.000000 2.889481 2.746026 4.257500 3.259553 5.355095 2.160228 3.409927 3.416846 1.083959 3.885434 2.154910 4.674392 4.305219 0.000000 4.906825 5.931317 4.923009 5.654514 3.405205 3.385575 2.159881 2.147979 3.887216 1.085740 3.409685 2.727922 2.485386 4.971150 0.000000 4.902898 5.055244 6.000921 5.300162 3.408953 3.386138 2.161520 3.886797 2.145822 3.408799 1.085772 2.725613 4.970113 2.477163 4.308835 0.000000 6.566965 7.081357 7.331596 6.957119 2.100131 4.801111 2.166100 4.560124 4.053569 3.392772 2.681433 1.089762 5.508490 4.754163 3.718632 2.476625 0.000000 6.572282 7.361077 6.997352 7.073302 2.100940 4.804715 2.167529 4.061982 4.559691 2.687705 3.392872 1.089666 4.769053 5.503883 2.487394 3.714278 1.775831 0.000000 2.231214 2.559281 3.090356 1.019015 8.481070 3.559589 6.110223 4.589482 4.059723 5.777620 5.366485 7.563453 4.706873 3.755802 6.641921 5.999638 7.826696 8.040045 0.000000 2.260629 3.376858 2.690444 1.018742 7.898742 3.111835 5.438112 3.707038 3.937023 4.865512 5.040279 6.846316 3.655459 4.062655 5.569234 5.840987 7.208378 7.120585 1.675098 0.000000 6.644470 6.862229 7.277439 7.549197 1.024552 4.982636 2.738883 4.757393 4.317020 3.726507 3.150348 2.122851 5.640524 4.972793 4.038230 3.040352 2.427213 2.971282 8.343835 7.962533 0.000000 6.649621 7.130822 6.964995 7.649375 1.024247 4.986099 2.740015 4.317535 4.763601 3.146676 3.734136 2.122663 4.975098 5.646391 3.033668 4.045821 2.970459 2.428244 8.530805 7.889258 1.651175 0.000000 7.772773 8.203353 8.274966 8.563740 1.024851 6.021854 3.391529 5.500700 5.499972 4.217063 4.218715 2.118266 6.276698 6.272269 4.148266 4.148276 2.396372 2.397209 9.442227 8.824445 1.652883 1.652652 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544078 0.3932257 0.3734441</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535115" y3="0.035157" z3="-0.144968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925945" y3="-1.127413" z3="-0.955217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938638" y3="1.384828" z3="-0.569433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050827" y3="-0.311162" z3="1.416697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.18504" y3="-0.049159" z3="-0.930758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750328" y3="0.04027" z3="0.040529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013777" y3="0.03928" z3="0.301045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066281" y3="1.254608" z3="0.025983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080286" y3="-1.177269" z3="0.179696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321729" y3="1.248095" z3="0.160897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304956" y3="-1.170981" z3="0.312391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515065" y3="0.035588" z3="0.431943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609868" y3="2.18473" z3="-0.088725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629486" y3="-2.111789" z3="0.184136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862921" y3="2.18934" z3="0.161153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.83553" y3="-2.111066" z3="0.429148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874541" y3="-0.824717" z3="0.996066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889875" y3="0.948151" z3="0.894673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943161" y3="-0.801053" z3="1.370445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136052" y3="0.536054" z3="1.97598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916179" y3="-0.902764" z3="-1.429535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930866" y3="0.745597" z3="-1.524761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205938" y3="-0.053022" z3="-0.840907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544069 0.3932257 0.3734441</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535114" y3="0.035139" z3="-0.144968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925945" y3="-1.127465" z3="-0.955169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938634" y3="1.384794" z3="-0.569489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050829" y3="-0.311112" z3="1.416711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.18504" y3="-0.049146" z3="-0.930757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750327" y3="0.040257" z3="0.040525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013777" y3="0.039272" z3="0.301046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066285" y3="1.254597" z3="0.0260">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080281" y3="-1.177282" z3="0.179674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321725" y3="1.248087" z3="0.160917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304961" y3="-1.170991" z3="0.312373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515065" y3="0.035583" z3="0.431945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609874" y3="2.184719" z3="-0.088697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629478" y3="-2.111804" z3="0.184097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862914" y3="2.189334" z3="0.161187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835538" y3="-2.111076" z3="0.429115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874544" y3="-0.824726" z3="0.996058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889871" y3="0.948143" z3="0.894684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943157" y3="-0.801014" z3="1.370477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136064" y3="0.53613" z3="1.975953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916183" y3="-0.902748" z3="-1.429542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930861" y3="0.745615" z3="-1.524752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205938" y3="-0.053005" z3="-0.840907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5351,.0351,-.145;2.9259,-1.1275,-.9552;2.9386,1.3848,-.5695;3.0508,-.3111,1.4167;-4.185,-.0491,-.9308;.7503,.0403,.0405;-2.0138,.0393,.301;.0663,1.2546,.026;.0803,-1.1773,.1797;-1.3217,1.2481,.1609;-1.305,-1.171,.3124;-3.5151,.0356,.4319;.6099,2.1847,-.0887;.6295,-2.1118,.1841;-1.8629,2.1893,.1612;-1.8355,-2.1111,.4291;-3.8745,-.8247,.9961;-3.8899,.9481,.8947;3.9432,-.801,1.3705;3.1361,.5361,1.976;-3.9162,-.9027,-1.4295;-3.9309,.7456,-1.5248;-5.2059,-.053,-.8409;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469973 0.000000 1.471263 2.541722 0.000000 1.680683 2.511542 2.614130 0.000000 6.766464 7.192321 7.275537 7.611638 0.000000 1.794408 2.662385 2.639808 2.703638 5.030828 0.000000 4.570706 5.228786 5.205251 5.197856 2.497908 2.776354 0.000000 2.758881 3.848970 2.936316 3.645960 4.548505 1.393824 2.424732 0.000000 2.757093 3.064010 3.910967 3.332366 4.549584 1.396684 2.424833 2.436770 0.000000 4.054629 4.993155 4.324679 4.809090 3.327632 2.401405 1.399931 1.394567 2.801497 0.000000 4.050936 4.416913 5.031681 4.575135 3.331481 2.401089 1.402599 2.801036 1.391598 2.423872 0.000000 6.077623 6.690544 6.668844 6.648378 1.520856 4.283316 1.506988 3.804846 3.802788 2.520786 2.520849 0.000000 2.886245 4.133464 2.508818 3.801801 5.356344 2.152938 3.411508 1.083407 3.414022 2.161172 3.884358 4.680275 0.000000 2.889480 2.746017 4.257498 3.259565 5.355095 2.160228 3.409927 3.416846 1.083959 3.885434 2.154910 4.674392 4.305219 0.000000 4.906825 5.931321 4.923011 5.654506 3.405203 3.385575 2.159881 2.147979 3.887217 1.085740 3.409685 2.727922 2.485386 4.971150 0.000000 4.902898 5.055240 6.000920 5.300169 3.408954 3.386138 2.161520 3.886797 2.145822 3.408799 1.085772 2.725613 4.970113 2.477163 4.308835 0.000000 6.566965 7.081355 7.331597 6.957122 2.100131 4.801111 2.166100 4.560124 4.053569 3.392772 2.681433 1.089762 5.508490 4.754163 3.718632 2.476624 0.000000 6.572282 7.361077 6.997354 7.073299 2.100940 4.804715 2.167529 4.061982 4.559691 2.687705 3.392871 1.089666 4.769053 5.503883 2.487394 3.714278 1.775831 0.000000 2.231214 2.559281 3.090355 1.019015 8.481072 3.559590 6.110223 4.589477 4.059729 5.777615 5.366490 7.563453 4.706865 3.755814 6.641915 5.999645 7.826699 8.040042 0.000000 2.260629 3.376858 2.690443 1.018742 7.898739 3.111835 5.438110 3.707028 3.937030 4.865504 5.040284 6.846315 3.655443 4.062668 5.569223 5.840996 7.208381 7.120581 1.675098 0.000000 6.644471 6.862233 7.277435 7.549202 1.024552 4.982637 2.738884 4.757393 4.317021 3.726508 3.150350 2.122851 5.640524 4.972794 4.038230 3.040353 2.427212 2.971282 8.343842 7.962535 0.000000 6.649617 7.130823 6.964987 7.649370 1.024247 4.986095 2.740013 4.317530 4.763598 3.146672 3.734134 2.122663 4.975093 5.646388 3.033664 4.045820 2.970459 2.428245 8.530802 7.889249 1.651175 0.000000 7.772772 8.203356 8.274962 8.563741 1.024851 6.021853 3.391528 5.500698 5.499973 4.217060 4.218717 2.118266 6.276695 6.272270 4.148263 4.148278 2.396373 2.397208 9.442229 8.824442 1.652883 1.652652 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544076 0.3932257 0.3734442</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="2.535114" y3="0.035139" z3="-0.144968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.925945" y3="-1.127465" z3="-0.955169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="2.938634" y3="1.384794" z3="-0.569489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a4" x3="3.050829" y3="-0.311112" z3="1.416711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-4.18504" y3="-0.049146" z3="-0.930757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a6" x3="0.750327" y3="0.040257" z3="0.040525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a7" x3="-2.013777" y3="0.039272" z3="0.301046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a8" x3="0.066285" y3="1.254597" z3="0.0260">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="0.080281" y3="-1.177282" z3="0.179674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-1.321725" y3="1.248087" z3="0.160917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-1.304961" y3="-1.170991" z3="0.312373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-3.515065" y3="0.035583" z3="0.431945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a13" x3="0.609874" y3="2.184719" z3="-0.088697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a14" x3="0.629478" y3="-2.111804" z3="0.184097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a15" x3="-1.862914" y3="2.189334" z3="0.161187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a16" x3="-1.835538" y3="-2.111076" z3="0.429115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a17" x3="-3.874544" y3="-0.824726" z3="0.996058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a18" x3="-3.889871" y3="0.948143" z3="0.894684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a19" x3="3.943157" y3="-0.801014" z3="1.370477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a20" x3="3.136064" y3="0.53613" z3="1.975953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a21" x3="-3.916183" y3="-0.902748" z3="-1.429542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a22" x3="-3.930861" y3="0.745615" z3="-1.524752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a23" x3="-5.205938" y3="-0.053005" z3="-0.840907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C7H11N2O2S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.15209999999996</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5351,.0351,-.145;2.9259,-1.1275,-.9552;2.9386,1.3848,-.5695;3.0508,-.3111,1.4167;-4.185,-.0491,-.9308;.7503,.0403,.0405;-2.0138,.0393,.301;.0663,1.2546,.026;.0803,-1.1773,.1797;-1.3217,1.2481,.1609;-1.305,-1.171,.3124;-3.5151,.0356,.4319;.6099,2.1847,-.0887;.6295,-2.1118,.1841;-1.8629,2.1893,.1612;-1.8355,-2.1111,.4291;-3.8745,-.8247,.9961;-3.8899,.9481,.8947;3.9432,-.801,1.3705;3.1361,.5361,1.976;-3.9162,-.9027,-1.4295;-3.9309,.7456,-1.5248;-5.2059,-.053,-.8409;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="276">0.000000 1.469973 0.000000 1.471263 2.541722 0.000000 1.680683 2.511542 2.614130 0.000000 6.766464 7.192321 7.275537 7.611638 0.000000 1.794408 2.662385 2.639808 2.703638 5.030828 0.000000 4.570706 5.228786 5.205251 5.197856 2.497908 2.776354 0.000000 2.758881 3.848970 2.936316 3.645960 4.548505 1.393824 2.424732 0.000000 2.757093 3.064010 3.910967 3.332366 4.549584 1.396684 2.424833 2.436770 0.000000 4.054629 4.993155 4.324679 4.809090 3.327632 2.401405 1.399931 1.394567 2.801497 0.000000 4.050936 4.416913 5.031681 4.575135 3.331481 2.401089 1.402599 2.801036 1.391598 2.423872 0.000000 6.077623 6.690544 6.668844 6.648378 1.520856 4.283316 1.506988 3.804846 3.802788 2.520786 2.520849 0.000000 2.886245 4.133464 2.508818 3.801801 5.356344 2.152938 3.411508 1.083407 3.414022 2.161172 3.884358 4.680275 0.000000 2.889480 2.746017 4.257498 3.259565 5.355095 2.160228 3.409927 3.416846 1.083959 3.885434 2.154910 4.674392 4.305219 0.000000 4.906825 5.931321 4.923011 5.654506 3.405203 3.385575 2.159881 2.147979 3.887217 1.085740 3.409685 2.727922 2.485386 4.971150 0.000000 4.902898 5.055240 6.000920 5.300169 3.408954 3.386138 2.161520 3.886797 2.145822 3.408799 1.085772 2.725613 4.970113 2.477163 4.308835 0.000000 6.566965 7.081355 7.331597 6.957122 2.100131 4.801111 2.166100 4.560124 4.053569 3.392772 2.681433 1.089762 5.508490 4.754163 3.718632 2.476624 0.000000 6.572282 7.361077 6.997354 7.073299 2.100940 4.804715 2.167529 4.061982 4.559691 2.687705 3.392871 1.089666 4.769053 5.503883 2.487394 3.714278 1.775831 0.000000 2.231214 2.559281 3.090355 1.019015 8.481072 3.559590 6.110223 4.589477 4.059729 5.777615 5.366490 7.563453 4.706865 3.755814 6.641915 5.999645 7.826699 8.040042 0.000000 2.260629 3.376858 2.690443 1.018742 7.898739 3.111835 5.438110 3.707028 3.937030 4.865504 5.040284 6.846315 3.655443 4.062668 5.569223 5.840996 7.208381 7.120581 1.675098 0.000000 6.644471 6.862233 7.277435 7.549202 1.024552 4.982637 2.738884 4.757393 4.317021 3.726508 3.150350 2.122851 5.640524 4.972794 4.038230 3.040353 2.427212 2.971282 8.343842 7.962535 0.000000 6.649617 7.130823 6.964987 7.649370 1.024247 4.986095 2.740013 4.317530 4.763598 3.146672 3.734134 2.122663 4.975093 5.646388 3.033664 4.045820 2.970459 2.428245 8.530802 7.889249 1.651175 0.000000 7.772772 8.203356 8.274962 8.563741 1.024851 6.021853 3.391528 5.500698 5.499973 4.217060 4.218717 2.118266 6.276695 6.272270 4.148263 4.148278 2.396373 2.397208 9.442229 8.824442 1.652883 1.652652 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544076 0.3932257 0.3734442</array>
                  </module>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="23">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="23">16 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.021107482 0.000014544 0.031740625</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003043858 -0.012340892 -0.002855713</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002815078 0.012365293 -0.002997965</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002277192 -0.000082989 -0.003182758</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.008858585 0.000003628 -0.044256064</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.023065380 0.000163531 -0.001353958</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001681180 -0.000070991 -0.004887708</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001770046 0.008769467 0.000411148</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001852452 -0.008879522 0.000409005</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006252151 0.001352121 -0.000774356</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006154793 -0.001389430 -0.000729214</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.014014002 0.000043422 0.044143323</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001468729 -0.002701603 -0.000991791</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001465910 0.002759851 -0.000998364</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000227754 -0.000902829 0.000423017</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000285918 0.000994829 0.000416184</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001452953 0.000822591 -0.005712699</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001463877 -0.000819341 -0.005702724</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003925248 0.007875129 -0.010137091</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003932803 -0.007945921 -0.010195349</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.008370863 -0.003402155 -0.004612920</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.008335145 0.003334244 -0.004585366</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.020867875 0.000037022 0.026430738</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.044256064</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.011158043</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">4</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-931.324844906</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT50280.200S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-11-12T07:01:35.000</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="23">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="23">S O O N N C C C C C C C H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="23">1.197650 -0.547583 -0.547583 -0.739189 -0.498796 -0.152916 0.077198 -0.085909 -0.085787 -0.095445 -0.095526 -0.172545 0.145569 0.145618 0.138657 0.138658 0.200371 0.200360 0.320566 0.320610 0.376975 0.376990 0.382056</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="44">-10.27721 -10.24472 -10.23670 -10.22608 -10.22547 -10.22270 -10.22266 -8.15406 -6.11894 -6.11834 -6.11707 -1.12398 -1.02430 -1.01362 -0.91951 -0.89308 -0.81649 -0.77870 -0.74251 -0.67455 -0.64425 -0.61480 -0.60208 -0.59467 -0.55820 -0.53334 -0.52408 -0.51047 -0.49858 -0.48383 -0.46570 -0.45610 -0.45139 -0.42737 -0.40152 -0.39510 -0.37334 -0.36661 -0.33934 -0.32790 -0.31848 -0.30627 -0.28260 -0.27979</array>
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                  </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="23">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="23">S O O N N C C C C C C C H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="23">1.181207 -0.573181 -0.545076 -0.700423 -0.511585 -0.178358 0.090590 -0.075813 -0.071822 -0.103505 -0.104275 -0.175788 0.148861 0.147762 0.138256 0.138409 0.202633 0.202761 0.321497 0.317900 0.381976 0.381640 0.386333</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
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               <property dictRef="cc:multipole">
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                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-21.4557 0.0489 0.6255</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">21.4648</scalar>
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                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.1068 30.5863 0.7293</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">54.1631 -27.2291 -26.9340 -0.1068 30.5863 0.7293</array>
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            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
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                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">7.414E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">3.189E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">40.2689233,-20.2441656,-20.0247577,-0.0793905,22.7401333,0.5422163</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C7H11N2O2S1)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">-8.8190613 -0.0097006 0.2512936</array>
               </module>
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                     <property dictRef="cc:force">
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                     <property dictRef="cc:force">
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                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">0.000000121 -0.000002159 0.000001211</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">-0.000001758 0.000001180 0.000002426</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">0.000001652 0.000000880 -0.000003604</array>
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                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000001831 -0.000001385 -0.000002378</array>
                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">0.000003114 -0.000002344 -0.000004261</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">0.000001865 -0.000006515 0.000000703</array>
                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000002210 0.000003082 -0.000006035</array>
                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
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                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">-0.000000757 -0.000003723 0.000003790</array>
                     </property>
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               </atomArray>
               <bondArray/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">176.15209999999996</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5351,.0351,-.145;2.9259,-1.1275,-.9552;2.9386,1.3848,-.5695;3.0508,-.3111,1.4167;-4.185,-.0491,-.9308;.7503,.0403,.0405;-2.0138,.0393,.301;.0663,1.2546,.026;.0803,-1.1773,.1797;-1.3217,1.2481,.1609;-1.305,-1.171,.3124;-3.5151,.0356,.4319;.6099,2.1847,-.0887;.6295,-2.1118,.1841;-1.8629,2.1893,.1612;-1.8355,-2.1111,.4291;-3.8745,-.8247,.9961;-3.8899,.9481,.8947;3.9432,-.801,1.3705;3.1361,.5361,1.976;-3.9162,-.9027,-1.4295;-3.9309,.7456,-1.5248;-5.2059,-.053,-.8409;</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-MILES</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">GMALLOCI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">NEW-compound opt 6-31G**</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#N</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Geom=AllCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Guess=TCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=Check</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GenChk</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">RB3LYP/6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
               <atomArray>
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                     </property>
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                     </property>
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                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
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                        <scalar dataType="xsd:integer">0</scalar>
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                        <scalar dataType="xsd:integer">0</scalar>
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                  </atom>
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                     </property>
                  </atom>
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                  </atom>
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                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray/>
               <formula concise="C7H11N2O2S"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">176.15209999999996</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/7C.2N.2O.S.11H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;7;8;9;10;11;12;4;5;2;3;1;13;14;15;16;17;18;19;20;21;22;23/rA:23nS0O0O0N0N0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;/rC:2.5351,.0351,-.145;2.9259,-1.1275,-.9552;2.9386,1.3848,-.5695;3.0508,-.3111,1.4167;-4.185,-.0491,-.9308;.7503,.0403,.0405;-2.0138,.0393,.301;.0663,1.2546,.026;.0803,-1.1773,.1797;-1.3217,1.2481,.1609;-1.305,-1.171,.3124;-3.5151,.0356,.4319;.6099,2.1847,-.0887;.6295,-2.1118,.1841;-1.8629,2.1893,.1612;-1.8355,-2.1111,.4291;-3.8745,-.8247,.9961;-3.8899,.9481,.8947;3.9432,-.801,1.3705;3.1361,.5361,1.976;-3.9162,-.9027,-1.4295;-3.9309,.7456,-1.5248;-5.2059,-.053,-.8409;</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">NEW-compound opt 6-31G**</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant" dataType="xsd:string" dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">Charge =  1 Multiplicity = 1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="23">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="23">1 1 1 1 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 10 11 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="23">2 3 4 6 19 20 12 21 22 23 8 9 10 11 12 10 13 11 14 15 16 17 18</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="23">1.47 1.4713 1.6807 1.7944 1.019 1.0187 1.5209 1.0246 1.0242 1.0249 1.3938 1.3967 1.3999 1.4026 1.507 1.3946 1.0834 1.3916 1.084 1.0857 1.0858 1.0898 1.0897</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="23">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="39">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">2 2 2 3 3 4 1 1 19 12 12 12 21 21 22 1 1 8 10 10 11 6 6 10 6 6 11 7 7 8 7 7 9 5 5 5 7 7 17</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">1 1 1 1 1 1 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="39">3 4 6 4 6 6 19 20 20 21 22 23 22 23 23 8 9 9 11 12 12 10 13 13 11 14 14 8 15 15 9 16 16 7 17 18 17 18 18</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="39">119.5757 105.5225 108.8858 111.8972 107.4581 102.107 109.0012 111.372 110.5771 111.5321 111.5353 111.1297 107.3991 107.5145 107.5158 119.3105 119.0112 121.6736 119.7396 120.2176 120.0419 118.9066 120.1874 120.906 118.8886 120.5905 120.5209 120.3804 120.1413 119.4777 120.4098 120.0669 119.5228 111.1718 105.9334 105.9997 112.0563 112.1789 109.1382</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="51">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="51">2 2 3 3 6 6 2 2 3 3 4 4 21 21 21 22 22 22 23 23 23 1 1 9 9 1 1 8 8 11 11 12 12 10 10 12 12 10 10 10 11 11 11 6 6 13 13 6 6 14 14</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="51">1 1 1 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 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 9 9 9 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="51">4 4 4 4 4 4 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 10 10 10 10 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="51">19 20 19 20 19 20 8 9 8 9 8 9 7 17 18 7 17 18 7 17 18 10 13 10 13 11 14 11 14 8 15 8 15 9 16 9 16 5 17 18 5 17 18 7 15 7 15 7 16 7 16</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="51">37.2481 159.5193 -94.3365 27.9346 151.0238 -86.7051 -142.5906 36.6365 -11.7138 167.5132 106.1457 -74.6272 59.9608 -62.0015 -177.8852 -60.1243 177.9134 62.0296 179.9163 57.954 -57.9297 179.5306 -0.461 0.3249 -179.6667 -179.4799 0.5074 -0.2718 179.7155 0.3215 -179.3932 -179.3519 0.9334 -0.2675 179.487 179.4064 -0.8391 89.6032 -152.0658 -28.8926 -90.0692 28.2618 151.4351 -0.3466 179.3699 179.6449 -0.6385 0.2398 -179.516 -179.7475 0.4967</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="51">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="63">0.00043 0.00118 0.00171 0.00425 0.01339 0.01459 0.01746 0.01963 0.02048 0.02136 0.02355 0.02595 0.02698 0.02863 0.04408 0.04663 0.04789 0.05041 0.07947 0.10102 0.11264 0.11552 0.12045 0.12112 0.12213 0.12500 0.12697 0.12830 0.12973 0.13995 0.15707 0.16554 0.17210 0.17728 0.18304 0.19110 0.19218 0.19930 0.21069 0.22755 0.25038 0.26471 0.28874 0.29186 0.31717 0.35143 0.35631 0.36108 0.36320 0.36732 0.36982 0.41843 0.42214 0.43213 0.43311 0.43728 0.44799 0.45327 0.46965 0.47154 0.51115 0.57814 0.58502</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 76.67 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">0.00001646 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="113">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 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 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</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="113">2.77785 2.78028 3.17603 3.39094 1.92566 1.92514 2.87400 1.93612 1.93555 1.93669 2.63395 2.63935 2.64549 2.65053 2.84780 2.63535 2.04734 2.62974 2.04839 2.05175 2.05181 2.05935 2.05917 2.08699 1.84171 1.90042 1.95297 1.87550 1.78210 1.90243 1.94381 1.92993 1.94660 1.94666 1.93958 1.87447 1.87648 1.87651 2.08236 2.07714 2.12360 2.08985 2.09819 2.09513 2.07531 2.09767 2.11021 2.07500 2.10470 2.10349 2.10103 2.09686 2.08528 2.10155 2.09556 2.08607 1.94031 1.84889 1.85004 1.95575 1.95789 1.90482 0.65010 2.78414 -1.64648 0.48755 2.63586 -1.51329 -2.48868 0.63943 -0.20444 2.92366 1.85259 -1.30249 1.04651 -1.08213 -3.10468 -1.04937 3.10517 1.08262 3.14013 1.01149 -1.01106 3.13340 -0.00805 0.00567 -3.13578 -3.13251 0.00886 -0.00474 3.13663 0.00561 -3.13100 -3.13028 0.01629 -0.00467 3.13264 3.13123 -0.01464 1.56387 -2.65405 -0.50427 -1.57200 0.49326 2.64304 -0.00605 3.13060 3.13539 -0.01114 0.00419 -3.13315 -3.13719 0.00867</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="113">0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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="113">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="113">0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -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="113">0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -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="113">2.77785 2.78028 3.17603 3.39094 1.92566 1.92514 2.87400 1.93612 1.93555 1.93669 2.63395 2.63935 2.64549 2.65053 2.84780 2.63535 2.04734 2.62974 2.04839 2.05175 2.05181 2.05935 2.05917 2.08699 1.84171 1.90042 1.95298 1.87550 1.78210 1.90243 1.94381 1.92993 1.94660 1.94666 1.93958 1.87447 1.87648 1.87651 2.08236 2.07714 2.12360 2.08985 2.09819 2.09513 2.07531 2.09767 2.11021 2.07500 2.10470 2.10349 2.10103 2.09686 2.08528 2.10155 2.09556 2.08607 1.94031 1.84889 1.85004 1.95575 1.95789 1.90482 0.65011 2.78414 -1.64648 0.48756 2.63587 -1.51328 -2.48864 0.63946 -0.20441 2.92369 1.85262 -1.30246 1.04651 -1.08213 -3.10468 -1.04937 3.10517 1.08262 3.14013 1.01149 -1.01107 3.13340 -0.00805 0.00567 -3.13578 -3.13251 0.00886 -0.00474 3.13663 0.00561 -3.13100 -3.13028 0.01629 -0.00467 3.13264 3.13123 -0.01464 1.56387 -2.65405 -0.50427 -1.57201 0.49326 2.64304 -0.00605 3.13060 3.13540 -0.01114 0.00419 -3.13314 -3.13719 0.00867</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 0.000076 0.000016</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000015 0.000010 0.000060 0.000040</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES NO YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-1.705899e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed on the basis of negligible forces.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="23">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="23">1 1 1 1 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 10 11 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="23">2 3 4 6 19 20 12 21 22 23 8 9 10 11 12 10 13 11 14 15 16 17 18</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="23">1.47 1.4713 1.6807 1.7944 1.019 1.0187 1.5209 1.0246 1.0242 1.0249 1.3938 1.3967 1.3999 1.4026 1.507 1.3946 1.0834 1.3916 1.084 1.0857 1.0858 1.0898 1.0897</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="23">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="39">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">2 2 2 3 3 4 1 1 19 12 12 12 21 21 22 1 1 8 10 10 11 6 6 10 6 6 11 7 7 8 7 7 9 5 5 5 7 7 17</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">1 1 1 1 1 1 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="39">3 4 6 4 6 6 19 20 20 21 22 23 22 23 23 8 9 9 11 12 12 10 13 13 11 14 14 8 15 15 9 16 16 7 17 18 17 18 18</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="39">119.5757 105.5225 108.8858 111.8972 107.4581 102.107 109.0012 111.372 110.5771 111.5321 111.5353 111.1297 107.3991 107.5145 107.5158 119.3105 119.0112 121.6736 119.7396 120.2176 120.0419 118.9066 120.1874 120.906 118.8886 120.5905 120.5209 120.3804 120.1413 119.4777 120.4098 120.0669 119.5228 111.1718 105.9334 105.9997 112.0563 112.1789 109.1382</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="50">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="50">2 2 3 3 6 6 2 2 3 3 4 4 21 21 21 22 22 22 23 23 23 1 1 9 9 1 1 8 8 11 11 12 12 10 10 12 12 10 10 10 11 11 11 6 6 13 13 6 6 14</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="50">1 1 1 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 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 9 9 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="50">4 4 4 4 4 4 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 10 10 10 10 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="50">19 20 19 20 19 20 8 9 8 9 8 9 7 17 18 7 17 18 7 17 18 10 13 10 13 11 14 11 14 8 15 8 15 9 16 9 16 5 17 18 5 17 18 7 15 7 15 7 16 7</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="50">37.2481 159.5193 -94.3365 27.9346 151.0238 -86.7051 -142.5906 36.6365 -11.7138 167.5132 106.1457 -74.6272 59.9608 -62.0015 -177.8852 -60.1243 177.9134 62.0296 179.9163 57.954 -57.9297 179.5306 -0.461 0.3249 -179.6667 -179.4799 0.5074 -0.2718 179.7155 0.3215 -179.3932 -179.3519 0.9334 -0.2675 179.487 179.4064 -0.8391 89.6032 -152.0658 -28.8926 -90.0692 28.2618 151.4351 -0.3466 179.3699 179.6449 -0.6385 0.2398 -179.516 -179.7475</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="50">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="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">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">23</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="276">0.000000 1.469973 0.000000 1.471263 2.541722 0.000000 1.680683 2.511542 2.614130 0.000000 6.766464 7.192321 7.275537 7.611638 0.000000 1.794408 2.662385 2.639808 2.703638 5.030828 0.000000 4.570706 5.228786 5.205251 5.197856 2.497908 2.776354 0.000000 2.758881 3.848970 2.936316 3.645960 4.548505 1.393824 2.424732 0.000000 2.757093 3.064010 3.910967 3.332366 4.549584 1.396684 2.424833 2.436770 0.000000 4.054629 4.993155 4.324679 4.809090 3.327632 2.401405 1.399931 1.394567 2.801497 0.000000 4.050936 4.416913 5.031681 4.575135 3.331481 2.401089 1.402599 2.801036 1.391598 2.423872 0.000000 6.077623 6.690544 6.668844 6.648378 1.520856 4.283316 1.506988 3.804846 3.802788 2.520786 2.520849 0.000000 2.886245 4.133464 2.508818 3.801801 5.356344 2.152938 3.411508 1.083407 3.414022 2.161172 3.884358 4.680275 0.000000 2.889480 2.746017 4.257498 3.259565 5.355095 2.160228 3.409927 3.416846 1.083959 3.885434 2.154910 4.674392 4.305219 0.000000 4.906825 5.931321 4.923011 5.654506 3.405203 3.385575 2.159881 2.147979 3.887217 1.085740 3.409685 2.727922 2.485386 4.971150 0.000000 4.902898 5.055240 6.000920 5.300169 3.408954 3.386138 2.161520 3.886797 2.145822 3.408799 1.085772 2.725613 4.970113 2.477163 4.308835 0.000000 6.566965 7.081355 7.331597 6.957122 2.100131 4.801111 2.166100 4.560124 4.053569 3.392772 2.681433 1.089762 5.508490 4.754163 3.718632 2.476624 0.000000 6.572282 7.361077 6.997354 7.073299 2.100940 4.804715 2.167529 4.061982 4.559691 2.687705 3.392871 1.089666 4.769053 5.503883 2.487394 3.714278 1.775831 0.000000 2.231214 2.559281 3.090355 1.019015 8.481072 3.559590 6.110223 4.589477 4.059729 5.777615 5.366490 7.563453 4.706865 3.755814 6.641915 5.999645 7.826699 8.040042 0.000000 2.260629 3.376858 2.690443 1.018742 7.898739 3.111835 5.438110 3.707028 3.937030 4.865504 5.040284 6.846315 3.655443 4.062668 5.569223 5.840996 7.208381 7.120581 1.675098 0.000000 6.644471 6.862233 7.277435 7.549202 1.024552 4.982637 2.738884 4.757393 4.317021 3.726508 3.150350 2.122851 5.640524 4.972794 4.038230 3.040353 2.427212 2.971282 8.343842 7.962535 0.000000 6.649617 7.130823 6.964987 7.649370 1.024247 4.986095 2.740013 4.317530 4.763598 3.146672 3.734134 2.122663 4.975093 5.646388 3.033664 4.045820 2.970459 2.428245 8.530802 7.889249 1.651175 0.000000 7.772772 8.203356 8.274962 8.563741 1.024851 6.021853 3.391528 5.500698 5.499973 4.217060 4.218717 2.118266 6.276695 6.272270 4.148263 4.148278 2.396373 2.397208 9.442229 8.824442 1.652883 1.652652 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">2.2544076 0.3932257 0.3734442</array>
                  </module>
               </module>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-931.324844906</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=11111111111111111111111</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">Keep R1 ints in memory in canonical form, NReq=462339181.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are    72 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">69 vectors produced by pass  0 Test12= 1.29D-14 1.39D-09 XBig12= 1.42D+02 6.09D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form    69 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">69 vectors produced by pass  1 Test12= 1.29D-14 1.39D-09 XBig12= 2.45D+01 8.33D-01.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">69 vectors produced by pass  2 Test12= 1.29D-14 1.39D-09 XBig12= 2.14D-01 5.74D-02.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">69 vectors produced by pass  3 Test12= 1.29D-14 1.39D-09 XBig12= 8.61D-04 5.44D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">69 vectors produced by pass  4 Test12= 1.29D-14 1.39D-09 XBig12= 1.43D-06 1.27D-04.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">48 vectors produced by pass  5 Test12= 1.29D-14 1.39D-09 XBig12= 1.45D-09 4.79D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">7 vectors produced by pass  6 Test12= 1.29D-14 1.39D-09 XBig12= 1.20D-12 9.41D-08.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 1.29D-14 1.39D-09 XBig12= 9.62D-16 3.50D-09.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 5.33D-15</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension   403 with    72 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      135.45 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">PT4040S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-11-12T07:03:02.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="44">-10.27721 -10.24472 -10.23670 -10.22608 -10.22547 -10.22270 -10.22266 -8.15406 -6.11894 -6.11834 -6.11707 -1.12398 -1.02430 -1.01362 -0.91951 -0.89308 -0.81649 -0.77870 -0.74251 -0.67455 -0.64425 -0.61480 -0.60208 -0.59467 -0.55820 -0.53334 -0.52408 -0.51047 -0.49858 -0.48383 -0.46570 -0.45610 -0.45139 -0.42737 -0.40152 -0.39510 -0.37334 -0.36661 -0.33934 -0.32790 -0.31848 -0.30627 -0.28260 -0.27979</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="190">-0.06034 -0.03285 0.02816 0.05102 0.06900 0.07983 0.08695 0.09168 0.09426 0.10412 0.11182 0.12162 0.12559 0.13558 0.14620 0.15190 0.16323 0.18159 0.19646 0.20328 0.27464 0.28329 0.30325 0.31561 0.33703 0.34942 0.40465 0.40912 0.45343 0.47423 0.48625 0.49094 0.52806 0.53420 0.54149 0.55803 0.56600 0.56750 0.57617 0.58863 0.59404 0.60756 0.63686 0.64545 0.65583 0.69721 0.71983 0.72942 0.74507 0.76045 0.76403 0.77333 0.78227 0.78825 0.79586 0.80537 0.81610 0.81923 0.83033 0.84113 0.84696 0.85569 0.88143 0.88844 0.89407 0.90641 0.94319 0.95009 0.96487 0.97188 1.00221 1.03489 1.04014 1.05578 1.06271 1.12762 1.13153 1.14877 1.15338 1.16734 1.19247 1.21211 1.22470 1.27249 1.29554 1.32330 1.35952 1.36871 1.38215 1.39319 1.41812 1.43301 1.48308 1.50397 1.51350 1.57088 1.60633 1.64479 1.68269 1.70931 1.74767 1.75228 1.76479 1.78996 1.79468 1.80136 1.81376 1.82096 1.84362 1.86513 1.88912 1.90152 1.92141 1.94201 1.95561 1.98172 1.98660 2.00230 2.04081 2.05010 2.07728 2.10298 2.10515 2.10780 2.14491 2.15516 2.15987 2.16498 2.17108 2.21072 2.22785 2.24942 2.26562 2.28056 2.28355 2.32518 2.35317 2.38987 2.39989 2.41867 2.42285 2.46763 2.47680 2.50220 2.53043 2.53775 2.57102 2.57673 2.58355 2.60496 2.62041 2.67226 2.70354 2.70451 2.72400 2.73806 2.75593 2.78019 2.82273 2.84735 2.86272 2.88603 2.91168 2.92763 3.03959 3.12259 3.16674 3.22100 3.22818 3.24313 3.25587 3.30791 3.32567 3.36909 3.38661 3.48493 3.50100 3.75595 3.80240 3.88247 3.98162 4.01997 4.10112 4.13127 4.15184 4.19164 4.40107 4.41007 4.51616 4.77916</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="23">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="23">S O O N N C C C C C C C H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="23">1.181207 -0.573181 -0.545075 -0.700422 -0.511585 -0.178358 0.090590 -0.075812 -0.071822 -0.103506 -0.104275 -0.175788 0.148861 0.147762 0.138256 0.138409 0.202633 0.202761 0.321497 0.317900 0.381976 0.381640 0.386333</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="12">S O O N N C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="12">1.181207 -0.573181 -0.545075 -0.061025 0.638363 -0.178358 0.090590 0.073049 0.075939 0.034750 0.034134 0.229607</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">184.445 -2.588 141.372 -2.158 -3.266 80.544</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">198.045 -2.713 189.464 -7.834 -4.006 99.043</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">-14.2166 -8.9960 -0.0013 0.0012 0.0014 7.8614 39.0816 56.1086 72.7488</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
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                        <array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="63">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>
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</molecule>
         </module>
      </module>
   </module>
</module>
