<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema" xmlns:cc="http://www.xml-cml.org/dictionary/compchem/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx" xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:si="http://www.xml-cml.org/unit/si/" xmlns:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema" convention="convention:compchem" id="gaussian.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-ART</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">ANDREA</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">31-May-2019</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">61</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">61</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="Cl" id="a1" x3="-3.44553" y3="-1.97954" z3="-2.54838"/>
                  <atom elementType="S" id="a2" x3="-2.62814" y3="0.12446" z3="3.72614"/>
                  <atom elementType="O" id="a3" x3="-2.00856" y3="-1.85504" z3="2.02806"/>
                  <atom elementType="O" id="a4" x3="-2.62555" y3="-5.52981" z3="1.8038"/>
                  <atom elementType="O" id="a5" x3="-4.9363" y3="-3.86734" z3="2.43065"/>
                  <atom elementType="O" id="a6" x3="-2.56297" y3="-2.61215" z3="4.90882"/>
                  <atom elementType="O" id="a7" x3="-3.54196" y3="-6.16729" z3="-1.42754"/>
                  <atom elementType="N" id="a8" x3="-6.70871" y3="-4.29347" z3="-0.62695"/>
                  <atom elementType="N" id="a9" x3="-3.14187" y3="-4.27367" z3="-0.62761"/>
                  <atom elementType="C" id="a10" x3="-7.73154" y3="-6.10422" z3="-1.90512"/>
                  <atom elementType="C" id="a11" x3="-5.62989" y3="-5.31963" z3="-0.81461"/>
                  <atom elementType="C" id="a12" x3="-6.19721" y3="-6.08314" z3="-2.04625"/>
                  <atom elementType="C" id="a13" x3="-7.9894" y3="-4.72496" z3="-1.25415"/>
                  <atom elementType="C" id="a14" x3="-2.16643" y3="-3.10582" z3="1.30162"/>
                  <atom elementType="C" id="a15" x3="-3.05472" y3="-2.99065" z3="-0.0013"/>
                  <atom elementType="C" id="a16" x3="-2.50721" y3="-4.21812" z3="2.3498"/>
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                  <atom elementType="C" id="a18" x3="-3.74627" y3="-3.85486" z3="3.21163"/>
                  <atom elementType="C" id="a19" x3="-4.1306" y3="-5.16188" z3="-0.96219"/>
                  <atom elementType="C" id="a20" x3="-3.54814" y3="-2.4709" z3="3.88227"/>
                  <atom elementType="C" id="a21" x3="-3.1171" y3="-1.39652" z3="2.83877"/>
                  <atom elementType="C" id="a22" x3="-2.42002" y3="-2.0658" z3="-1.10864"/>
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                  <atom elementType="C" id="a24" x3="-8.20756" y3="-8.6802" z3="-1.82269"/>
                  <atom elementType="C" id="a25" x3="-2.09494" y3="-0.61287" z3="-0.68626"/>
                  <atom elementType="C" id="a26" x3="-8.90126" y3="-9.82654" z3="-1.05431"/>
                  <atom elementType="C" id="a27" x3="-1.94547" y3="1.23465" z3="2.46402"/>
                  <atom elementType="H" id="a28" x3="-2.68326" y3="-6.16944" z3="2.51734"/>
                  <atom elementType="H" id="a29" x3="-5.70038" y3="-3.87535" z3="3.0118"/>
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                  <atom elementType="H" id="a32" x3="-2.25483" y3="-4.6621" z3="-0.91464"/>
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                  <atom elementType="H" id="a34" x3="-5.50407" y3="-5.67986" z3="0.20642"/>
                  <atom elementType="H" id="a35" x3="-5.85503" y3="-7.11563" z3="-1.97571"/>
                  <atom elementType="H" id="a36" x3="-5.96529" y3="-5.49143" z3="-2.9318"/>
                  <atom elementType="H" id="a37" x3="-8.70359" y3="-4.86546" z3="-0.4428"/>
                  <atom elementType="H" id="a38" x3="-8.20318" y3="-4.01281" z3="-2.05117"/>
                  <atom elementType="H" id="a39" x3="-1.1915" y3="-3.33669" z3="0.8723"/>
                  <atom elementType="H" id="a40" x3="-4.0503" y3="-2.66245" z3="0.29737"/>
                  <atom elementType="H" id="a41" x3="-1.63026" y3="-4.35947" z3="2.98153"/>
                  <atom elementType="H" id="a42" x3="-7.69766" y3="-7.39525" z3="-0.20467"/>
                  <atom elementType="H" id="a43" x3="-9.38497" y3="-7.10895" z3="-1.00174"/>
                  <atom elementType="H" id="a44" x3="-3.9357" y3="-4.62757" z3="3.9567"/>
                  <atom elementType="H" id="a45" x3="-4.45158" y3="-2.13651" z3="4.39225"/>
                  <atom elementType="H" id="a46" x3="-3.90327" y3="-1.38849" z3="2.0838"/>
                  <atom elementType="H" id="a47" x3="-1.43166" y3="-2.52057" z3="-1.17524"/>
                  <atom elementType="H" id="a48" x3="-6.51296" y3="-2.57964" z3="0.59143"/>
                  <atom elementType="H" id="a49" x3="-5.61009" y3="-2.51745" z3="-0.94128"/>
                  <atom elementType="H" id="a50" x3="-7.37855" y3="-2.31546" z3="-0.94128"/>
                  <atom elementType="H" id="a51" x3="-8.75645" y3="-8.57374" z3="-2.75837"/>
                  <atom elementType="H" id="a52" x3="-7.14696" y3="-8.93114" z3="-1.83853"/>
                  <atom elementType="H" id="a53" x3="-2.07986" y3="-0.54547" z3="0.40155"/>
                  <atom elementType="H" id="a54" x3="-1.11949" y3="-0.32923" z3="-1.08143"/>
                  <atom elementType="H" id="a55" x3="-2.85651" y3="0.05941" z3="-1.08143"/>
                  <atom elementType="H" id="a56" x3="-8.79976" y3="-9.65881" z3="0.01792"/>
                  <atom elementType="H" id="a57" x3="-9.9582" y3="-9.85412" z3="-1.3193"/>
                  <atom elementType="H" id="a58" x3="-8.43536" y3="-10.77565" z3="-1.3193"/>
                  <atom elementType="H" id="a59" x3="-1.43428" y3="2.06597" z3="2.94949"/>
                  <atom elementType="H" id="a60" x3="-1.23787" y3="0.68631" z3="1.84214"/>
                  <atom elementType="H" id="a61" x3="-2.75411" y3="1.61866" z3="1.84214"/>
               </atomArray>
               <bondArray/>
               <formula concise="C18H34ClN2O5S"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">391.7209999999997</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=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4455,-1.9795,-2.5484;-2.6281,.1245,3.7261;-2.0086,-1.855,2.0281;-2.6256,-5.5298,1.8038;-4.9363,-3.8673,2.4306;-2.563,-2.6122,4.9088;-3.542,-6.1673,-1.4275;-6.7087,-4.2935,-.627;-3.1419,-4.2737,-.6276;-7.7315,-6.1042,-1.9051;-5.6299,-5.3196,-.8146;-6.1972,-6.0831,-2.0463;-7.9894,-4.725,-1.2542;-2.1664,-3.1058,1.3016;-3.0547,-2.9907,-.0013;-2.5072,-4.2181,2.3498;-8.3174,-7.307,-1.097;-3.7463,-3.8549,3.2116;-4.1306,-5.1619,-.9622;-3.5481,-2.4709,3.8823;-3.1171,-1.3965,2.8388;-2.42,-2.0658,-1.1086;-6.5415,-2.8298,-.4691;-8.2076,-8.6802,-1.8227;-2.0949,-.6129,-.6863;-8.9013,-9.8265,-1.0543;-1.9455,1.2347,2.464;-2.6833,-6.1694,2.5173;-5.7004,-3.8754,3.0118;-2.4044,-3.5444,5.0741;-6.6555,-4.3027,.3816;-2.2548,-4.6621,-.9146;-8.2331,-6.2477,-2.8622;-5.5041,-5.6799,.2064;-5.855,-7.1156,-1.9757;-5.9653,-5.4914,-2.9318;-8.7036,-4.8655,-.4428;-8.2032,-4.0128,-2.0512;-1.1915,-3.3367,.8723;-4.0503,-2.6625,.2974;-1.6303,-4.3595,2.9815;-7.6977,-7.3952,-.2047;-9.385,-7.109,-1.0017;-3.9357,-4.6276,3.9567;-4.4516,-2.1365,4.3922;-3.9033,-1.3885,2.0838;-1.4317,-2.5206,-1.1752;-6.513,-2.5796,.5914;-5.6101,-2.5175,-.9413;-7.3785,-2.3155,-.9413;-8.7564,-8.5737,-2.7584;-7.147,-8.9311,-1.8385;-2.0799,-.5455,.4016;-1.1195,-.3292,-1.0814;-2.8565,.0594,-1.0814;-8.7998,-9.6588,.0179;-9.9582,-9.8541,-1.3193;-8.4354,-10.7757,-1.3193;-1.4343,2.066,2.9495;-1.2379,.6863,1.8421;-2.7541,1.6187,1.8421;</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=16</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=8Gb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Chk=mol</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,8=3,13=1,38=5,53=1/2,8</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,8=3,13=1,38=5,53=1/2,8</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">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="62">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="62">1 2 2 3 3 4 4 5 5 6 6 7 8 8 8 8 9 9 9 10 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 17 18 18 20 20 21 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="62">22 21 27 14 21 16 28 18 29 20 30 19 11 13 23 31 15 19 32 12 13 17 33 12 19 34 35 36 37 38 15 16 39 22 40 18 41 24 42 43 20 44 21 45 46 25 47 48 49 50 26 51 52 53 54 55 56 57 58 59 60 61</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="62">1.7697 1.8275 1.8143 1.455 1.4479 1.4257 0.96 1.4235 0.96 1.4298 0.96 1.2546 1.5007 1.4899 1.4816 1.01 1.4304 1.3706 1.01 1.541 1.5468 1.563 1.09 1.5562 1.5148 1.09 1.09 1.09 1.09 1.09 1.5811 1.5659 1.09 1.5762 1.09 1.5524 1.09 1.557 1.09 1.09 1.5506 1.09 1.5585 1.09 1.09 1.5476 1.09 1.09 1.09 1.09 1.5446 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="62">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="119">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="119">21 14 16 18 20 11 11 11 13 13 23 15 15 19 12 12 12 13 13 17 8 8 8 12 12 19 10 10 10 11 11 35 8 8 8 10 10 37 3 3 3 15 15 16 9 9 9 14 14 22 4 4 4 14 14 18 10 10 10 24 24 42 5 5 5 16 16 20 7 7 9 6 6 6 18 18 21 2 2 2 3 3 20 1 1 1 15 15 25 8 8 8 48 48 49 17 17 17 26 26 51 22 22 22 53 53 54 24 24 24 56 56 57 2 2 2 59 59 60</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="119">2 3 4 5 6 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="119">27 21 28 29 30 13 23 31 23 31 31 19 32 32 13 17 33 17 33 33 12 19 34 19 34 34 11 35 36 35 36 36 10 37 38 37 38 38 15 16 39 16 39 39 14 22 40 22 40 40 14 18 41 18 41 41 24 42 43 42 43 43 16 20 44 20 44 44 9 11 11 18 21 45 21 45 45 3 20 46 20 46 46 15 25 47 25 47 47 48 49 50 49 50 50 26 51 52 51 52 52 53 54 55 54 55 55 56 57 58 57 58 58 59 60 61 60 61 61</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="119">105.7934 117.9508 109.4715 109.4711 109.4709 111.5473 127.4245 94.6284 115.3376 117.583 84.0723 137.066 114.5752 108.3589 101.089 115.5364 112.3048 113.9607 114.2168 100.3824 99.9264 130.7309 101.0595 109.5614 128.4112 90.6548 107.2905 107.0792 107.079 107.4022 107.4028 119.9995 106.9844 106.6904 106.69 107.9118 107.9114 119.9995 114.1897 107.4597 106.3602 118.756 101.1489 107.9296 109.2514 104.0772 109.5366 113.2934 108.0159 112.5584 114.534 111.2009 99.7546 112.2776 107.7568 110.5325 114.286 105.8132 105.8133 105.6662 105.6667 120.0004 111.1387 110.606 102.9161 110.3022 110.6284 111.0567 105.7493 114.6508 139.265 108.0829 110.9928 105.3959 111.1637 111.7317 109.3303 109.3048 108.8214 121.5439 111.6133 99.5973 105.6255 111.5184 107.3371 119.7399 116.3407 99.3954 102.586 109.4709 109.4714 109.4714 109.4712 109.4711 109.4713 113.0186 106.166 106.1665 105.8644 105.8651 119.9997 109.4713 109.4711 109.471 109.4716 109.4716 109.4708 109.471 109.4714 109.4712 109.4712 109.4713 109.4712 109.4712 109.4713 109.4712 109.4712 109.4716 109.4708</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="119">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="181">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="181">27 27 27 21 21 21 21 21 21 14 14 14 28 28 28 29 29 29 30 30 30 13 13 13 23 23 23 31 31 31 11 11 11 23 23 23 31 31 31 11 11 11 13 13 13 31 31 31 19 19 19 32 32 32 15 15 32 32 13 13 13 17 17 17 33 33 33 12 12 12 17 17 17 33 33 33 12 12 12 13 13 13 33 33 33 8 8 8 19 19 19 34 34 34 8 8 12 12 34 34 3 3 3 16 16 16 39 39 39 3 3 3 15 15 15 39 39 39 9 9 9 14 14 14 40 40 40 4 4 4 14 14 14 41 41 41 10 10 10 42 42 42 43 43 43 5 5 5 16 16 16 44 44 44 6 6 6 18 18 18 45 45 45 1 1 1 15 15 15 47 47 47 17 17 17 51 51 51 52 52 52</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="181">2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="181">21 21 21 27 27 27 14 14 14 21 21 21 16 16 16 18 18 18 20 20 20 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 23 23 23 23 23 23 23 23 23 15 15 15 15 15 15 19 19 19 19 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 12 12 12 12 12 12 12 12 12 19 19 19 19 19 19 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 24 24 24 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="181">3 20 46 59 60 61 15 16 39 2 20 46 14 18 41 16 20 44 18 21 45 12 19 34 12 19 34 12 19 34 10 37 38 10 37 38 10 37 38 48 49 50 48 49 50 48 49 50 14 22 40 14 22 40 7 11 7 11 11 35 36 11 35 36 11 35 36 8 37 38 8 37 38 8 37 38 24 42 43 24 42 43 24 42 43 10 35 36 10 35 36 10 35 36 7 9 7 9 7 9 9 22 40 9 22 40 9 22 40 4 18 41 4 18 41 4 18 41 1 25 47 1 25 47 1 25 47 5 20 44 5 20 44 5 20 44 26 51 52 26 51 52 26 51 52 6 21 45 6 21 45 6 21 45 2 3 46 2 3 46 2 3 46 53 54 55 53 54 55 53 54 55 56 57 58 56 57 58 56 57 58</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="181">50.8134 172.9357 -64.1672 -167.5145 -47.5145 72.4851 76.8106 -57.1486 -172.5316 176.2833 55.8539 -55.2969 170.323 -61.0665 55.5748 164.9397 -72.1854 46.5025 -12.595 -134.7415 107.0028 21.5831 148.3987 -111.0176 -130.2443 -3.4287 97.155 143.6845 -89.4999 11.0838 -0.7239 114.5725 -116.0196 154.7661 -89.9375 39.4704 -108.4316 6.8648 136.2726 -94.3797 25.6201 145.6205 114.6901 -125.3101 -5.3097 -3.0789 116.9209 -123.0787 119.6226 -119.0849 1.4885 -60.378 60.9144 -178.5121 -175.9545 -3.4066 4.0461 176.594 35.0618 150.1063 -79.9834 -88.4616 26.5829 156.4932 157.2161 -87.7394 42.1709 -20.7775 -135.2537 93.6981 103.8204 -10.6559 -141.7041 -141.5896 103.9341 -27.114 -70.2342 45.5954 173.9354 173.3055 -70.8648 57.4752 50.7737 166.6034 -65.0566 -35.1378 -149.9667 79.6912 -175.0608 70.1102 -60.2319 77.6485 -37.1804 -167.5225 -163.2588 24.6354 -40.0716 147.8227 91.4929 -80.6129 -179.8771 64.6008 -60.7951 -51.4377 -166.9598 67.6443 66.3409 -49.1812 -174.5771 -176.8653 55.0671 -66.8831 51.6384 -76.4292 161.6205 -62.5272 169.4052 47.455 61.0331 -175.4181 -66.2475 179.5911 -56.8602 52.3104 -57.4887 66.06 175.2306 -61.2704 175.6801 52.4089 68.5374 -54.5122 -177.7834 -171.1066 65.8438 -57.4274 -175.0873 -59.4675 69.2917 68.9976 -175.3826 -46.6234 -59.1719 56.448 -174.7928 165.0917 -72.8669 49.5736 -71.5484 50.493 172.9335 51.473 173.5145 -64.045 -50.1445 70.5677 177.8466 -170.4798 -49.7677 57.5112 65.7015 -173.5863 -66.3074 142.8752 -97.1244 22.8749 17.1895 137.1898 -102.8109 -90.0994 29.901 149.9002 -34.1704 85.8295 -154.1704 -149.9701 -29.9701 90.03 81.6302 -158.3698 -38.3697</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="181">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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">61</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">T</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 366</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="177">0.00032 0.00146 0.00222 0.00253 0.00263 0.00297 0.00321 0.00339 0.00372 0.00414 0.00441 0.00541 0.00570 0.00681 0.00810 0.00982 0.01118 0.01365 0.01655 0.01715 0.02452 0.02901 0.03049 0.03357 0.03447 0.03513 0.03671 0.03793 0.03907 0.04068 0.04218 0.04311 0.04474 0.04501 0.04618 0.04683 0.04737 0.04867 0.04988 0.05041 0.05153 0.05217 0.05307 0.05375 0.05407 0.05468 0.05495 0.05603 0.05720 0.05834 0.05854 0.06036 0.06105 0.06212 0.06321 0.06369 0.06507 0.06681 0.06753 0.06943 0.07042 0.07167 0.07241 0.07351 0.07449 0.07815 0.08347 0.08518 0.08942 0.09242 0.09566 0.09891 0.10322 0.10822 0.11113 0.11772 0.12158 0.12317 0.12753 0.13878 0.15326 0.15584 0.15845 0.15942 0.15962 0.15981 0.16003 0.16026 0.16055 0.16076 0.16102 0.16216 0.16251 0.16343 0.16405 0.16779 0.16857 0.17246 0.17617 0.18023 0.18810 0.19180 0.19496 0.19819 0.21214 0.21556 0.21766 0.22069 0.23115 0.23482 0.24027 0.24578 0.25032 0.25384 0.25736 0.25859 0.26624 0.26741 0.27058 0.27335 0.27480 0.27664 0.27985 0.28185 0.28746 0.28998 0.29724 0.30367 0.31561 0.32359 0.33755 0.34556 0.34608 0.34730 0.34742 0.34771 0.34783 0.34793 0.34800 0.34805 0.34809 0.34814 0.34817 0.34819 0.34820 0.34825 0.34832 0.34833 0.34841 0.34844 0.34863 0.34869 0.34910 0.34924 0.35078 0.35114 0.35178 0.35348 0.35398 0.35704 0.36741 0.37814 0.39122 0.40441 0.41375 0.41713 0.41984 0.46008 0.46818 0.48399 0.54280 0.55329 0.55590 0.55635 0.64075 0.80499 0.94250</array>
                  </module>
                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-3.93977711e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
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                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="180">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="180">27 27 27 21 21 21 21 21 21 14 14 14 28 28 28 29 29 29 30 30 30 13 13 13 23 23 23 31 31 31 11 11 11 23 23 23 31 31 31 11 11 11 13 13 13 31 31 31 19 19 19 32 32 32 15 15 32 32 13 13 13 17 17 17 33 33 33 12 12 12 17 17 17 33 33 33 12 12 12 13 13 13 33 33 33 8 8 8 19 19 19 34 34 34 8 8 12 12 34 34 3 3 3 16 16 16 39 39 39 3 3 3 15 15 15 39 39 39 9 9 9 14 14 14 40 40 40 4 4 4 14 14 14 41 41 41 10 10 10 42 42 42 43 43 43 5 5 5 16 16 16 44 44 44 6 6 6 18 18 18 45 45 45 1 1 1 15 15 15 47 47 47 17 17 17 51 51 51 52 52</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="180">2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="180">21 21 21 27 27 27 14 14 14 21 21 21 16 16 16 18 18 18 20 20 20 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 23 23 23 23 23 23 23 23 23 15 15 15 15 15 15 19 19 19 19 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 12 12 12 12 12 12 12 12 12 19 19 19 19 19 19 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 24 24 24 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="180">3 20 46 59 60 61 15 16 39 2 20 46 14 18 41 16 20 44 18 21 45 12 19 34 12 19 34 12 19 34 10 37 38 10 37 38 10 37 38 48 49 50 48 49 50 48 49 50 14 22 40 14 22 40 7 11 7 11 11 35 36 11 35 36 11 35 36 8 37 38 8 37 38 8 37 38 24 42 43 24 42 43 24 42 43 10 35 36 10 35 36 10 35 36 7 9 7 9 7 9 9 22 40 9 22 40 9 22 40 4 18 41 4 18 41 4 18 41 1 25 47 1 25 47 1 25 47 5 20 44 5 20 44 5 20 44 26 51 52 26 51 52 26 51 52 6 21 45 6 21 45 6 21 45 2 3 46 2 3 46 2 3 46 53 54 55 53 54 55 53 54 55 56 57 58 56 57 58 56 57</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="180">89.4013 -148.4368 -30.8409 170.1038 -71.5164 52.4126 78.3694 -53.8394 -166.5577 174.9901 55.2737 -66.1477 164.1824 -67.9432 49.3214 172.4239 -67.2845 53.1476 -78.7898 161.0463 42.812 -1.2859 119.413 -117.7476 -129.7072 -9.0082 113.8312 112.2499 -127.0512 -4.2118 26.1212 150.0729 -92.2217 157.7969 -78.2514 39.454 -86.114 37.8377 155.5431 -58.2009 62.1139 -177.477 176.2963 -63.3888 57.0202 59.4841 179.7989 -59.7921 107.8695 -129.9361 -11.8519 -63.2391 58.9553 177.0394 -176.0327 4.0913 -4.6596 175.4645 39.6614 159.9846 -77.6526 -82.8889 37.4342 159.7971 154.2727 -85.4041 36.9587 -40.1152 -159.3195 74.6714 83.6307 -35.5737 -161.5827 -155.7812 85.0144 -40.9946 -69.2708 53.7357 169.5429 174.9429 -62.0506 53.7566 54.3382 177.3447 -66.8481 -23.8605 -147.238 94.2055 -144.4879 92.1346 -26.4219 89.372 -34.0056 -152.562 -63.2659 116.6126 52.9465 -127.175 177.861 -2.2605 170.1059 51.8707 -70.291 -62.6096 179.1553 56.9935 56.4604 -61.7747 176.0635 -177.6911 54.3861 -59.0114 51.3881 -76.5347 170.0678 -67.2321 164.8451 51.4476 58.4744 179.8326 -53.2526 177.3085 -61.3333 65.5815 -60.05 61.3082 -171.777 -63.035 175.622 57.5571 63.9643 -57.3787 -175.4436 176.702 55.359 -62.706 -176.8942 -54.9667 61.1164 59.0921 -178.9803 -62.8973 -56.1142 65.8134 -178.1035 174.1113 -66.3248 51.5514 -65.1628 54.4011 172.2773 52.644 172.2079 -69.9159 -51.6334 68.3357 -169.0991 -172.5056 -52.5366 70.0287 68.6281 -171.4029 -48.8376 -171.9792 -52.5523 67.4642 66.193 -174.38 -54.3636 -60.189 59.2379 179.2544 -60.1103 59.7794 179.8664 178.299 -61.8112 58.2757 62.2341 -177.8761</array>
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                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.44553" y3="-1.97954" z3="-2.54838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.62814" y3="0.12446" z3="3.72614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.00856" y3="-1.85504" z3="2.02806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.62555" y3="-5.52981" z3="1.8038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.9363" y3="-3.86734" z3="2.43065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.56297" y3="-2.61215" z3="4.90882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.54196" y3="-6.16729" z3="-1.42754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.70871" y3="-4.29347" z3="-0.62695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.14187" y3="-4.27367" z3="-0.62761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.73154" y3="-6.10422" z3="-1.90512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.62989" y3="-5.31963" z3="-0.81461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-6.19721" y3="-6.08314" z3="-2.04625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.9894" y3="-4.72496" z3="-1.25415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.16643" y3="-3.10582" z3="1.30162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.05472" y3="-2.99065" z3="-0.0013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.50721" y3="-4.21812" z3="2.3498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.31736" y3="-7.30698" z3="-1.09702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.74627" y3="-3.85486" z3="3.21163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-4.1306" y3="-5.16188" z3="-0.96219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.54814" y3="-2.4709" z3="3.88227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.1171" y3="-1.39652" z3="2.83877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.42002" y3="-2.0658" z3="-1.10864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.54153" y3="-2.82978" z3="-0.46909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-8.20756" y3="-8.6802" z3="-1.82269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.09494" y3="-0.61287" z3="-0.68626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.90126" y3="-9.82654" z3="-1.05431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-1.94547" y3="1.23465" z3="2.46402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-2.68326" y3="-6.16944" z3="2.51734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-5.70038" y3="-3.87535" z3="3.0118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.4044" y3="-3.54444" z3="5.07406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.65546" y3="-4.30274" z3="0.3816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.25483" y3="-4.6621" z3="-0.91464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-8.23308" y3="-6.2477" z3="-2.86219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-5.50407" y3="-5.67986" z3="0.20642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.85503" y3="-7.11563" z3="-1.97571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-5.96529" y3="-5.49143" z3="-2.9318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-8.70359" y3="-4.86546" z3="-0.4428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-8.20318" y3="-4.01281" z3="-2.05117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-1.1915" y3="-3.33669" z3="0.8723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-4.0503" y3="-2.66245" z3="0.29737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-1.63026" y3="-4.35947" z3="2.98153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-7.69766" y3="-7.39525" z3="-0.20467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-9.38497" y3="-7.10895" z3="-1.00174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.9357" y3="-4.62757" z3="3.9567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.45158" y3="-2.13651" z3="4.39225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-3.90327" y3="-1.38849" z3="2.0838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="-1.43166" y3="-2.52057" z3="-1.17524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-6.51296" y3="-2.57964" z3="0.59143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-5.61009" y3="-2.51745" z3="-0.94128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-7.37855" y3="-2.31546" z3="-0.94128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-8.75645" y3="-8.57374" z3="-2.75837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-7.14696" y3="-8.93114" z3="-1.83853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="-2.07986" y3="-0.54547" z3="0.40155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-1.11949" y3="-0.32923" z3="-1.08143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-2.85651" y3="0.05941" z3="-1.08143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a56" x3="-8.79976" y3="-9.65881" z3="0.01792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a57" x3="-9.9582" y3="-9.85412" z3="-1.3193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a58" x3="-8.43536" y3="-10.77565" z3="-1.3193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a59" x3="-1.43428" y3="2.06597" z3="2.94949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a60" x3="-1.23787" y3="0.68631" z3="1.84214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a61" x3="-2.75411" y3="1.61866" z3="1.84214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4455,-1.9795,-2.5484;-2.6281,.1245,3.7261;-2.0086,-1.855,2.0281;-2.6256,-5.5298,1.8038;-4.9363,-3.8673,2.4306;-2.563,-2.6122,4.9088;-3.542,-6.1673,-1.4275;-6.7087,-4.2935,-.627;-3.1419,-4.2737,-.6276;-7.7315,-6.1042,-1.9051;-5.6299,-5.3196,-.8146;-6.1972,-6.0831,-2.0463;-7.9894,-4.725,-1.2542;-2.1664,-3.1058,1.3016;-3.0547,-2.9907,-.0013;-2.5072,-4.2181,2.3498;-8.3174,-7.307,-1.097;-3.7463,-3.8549,3.2116;-4.1306,-5.1619,-.9622;-3.5481,-2.4709,3.8823;-3.1171,-1.3965,2.8388;-2.42,-2.0658,-1.1086;-6.5415,-2.8298,-.4691;-8.2076,-8.6802,-1.8227;-2.0949,-.6129,-.6863;-8.9013,-9.8265,-1.0543;-1.9455,1.2347,2.464;-2.6833,-6.1694,2.5173;-5.7004,-3.8754,3.0118;-2.4044,-3.5444,5.0741;-6.6555,-4.3027,.3816;-2.2548,-4.6621,-.9146;-8.2331,-6.2477,-2.8622;-5.5041,-5.6799,.2064;-5.855,-7.1156,-1.9757;-5.9653,-5.4914,-2.9318;-8.7036,-4.8655,-.4428;-8.2032,-4.0128,-2.0512;-1.1915,-3.3367,.8723;-4.0503,-2.6625,.2974;-1.6303,-4.3595,2.9815;-7.6977,-7.3952,-.2047;-9.385,-7.109,-1.0017;-3.9357,-4.6276,3.9567;-4.4516,-2.1365,4.3922;-3.9033,-1.3885,2.0838;-1.4317,-2.5206,-1.1752;-6.513,-2.5796,.5914;-5.6101,-2.5175,-.9413;-7.3785,-2.3155,-.9413;-8.7564,-8.5737,-2.7584;-7.147,-8.9311,-1.8385;-2.0799,-.5455,.4016;-1.1195,-.3292,-1.0814;-2.8565,.0594,-1.0814;-8.7998,-9.6588,.0179;-9.9582,-9.8541,-1.3193;-8.4354,-10.7757,-1.3193;-1.4343,2.066,2.9495;-1.2379,.6863,1.8421;-2.7541,1.6187,1.8421;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2602014 0.0885427 0.0786161</array>
                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="g:alphaocc" size="109">-19.15666 -19.12252 -14.47311 -14.37268 -10.32214 -10.29039 -10.28074 -10.27173 -10.26345 -10.26311 -10.26050 -10.26015 -10.25832 -10.25792 -10.25373 -10.21685 -10.21265 -10.21223 -10.18912 -10.18358 -10.17995 -10.17223 -9.46882 -7.94765 -7.23259 -7.22324 -7.22270 -5.91313 -5.90886 -5.90215 -1.06305 -1.06005 -1.04860 -1.04523 -1.03139 -1.02724 -0.93879 -0.87297 -0.85311 -0.81468 -0.81073 -0.78757 -0.78082 -0.77199 -0.74631 -0.73930 -0.71621 -0.69686 -0.67988 -0.67192 -0.65707 -0.62380 -0.61941 -0.61152 -0.59902 -0.59016 -0.57968 -0.57381 -0.55822 -0.55095 -0.53278 -0.51782 -0.51384 -0.50444 -0.50128 -0.49320 -0.48363 -0.47880 -0.47768 -0.47254 -0.46324 -0.45044 -0.44694 -0.44588 -0.44305 -0.43843 -0.43252 -0.42957 -0.42693 -0.42291 -0.41197 -0.41080 -0.40855 -0.40160 -0.39807 -0.39354 -0.38767 -0.38228 -0.37723 -0.36924 -0.36648 -0.35935 -0.35700 -0.35227 -0.34535 -0.33975 -0.32556 -0.32294 -0.31831 -0.31014 -0.30923 -0.30372 -0.30115 -0.29517 -0.28418 -0.26892 -0.26415 -0.24760 -0.23961</array>
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                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-32.8790 -20.2973 2.6120</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">38.7277</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">65.0147 -80.4142 -168.9385</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">145.6216 -5.1624 -28.2755</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">126.4607 -18.9682 -107.4925 145.6216 -5.1624 -28.2755</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">534.2631 1526.2442 -238.0419 80.2933 -441.9852 -137.3118 670.4638 508.2731 95.9765 39.9757</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-12671.1210 -20042.1804 -5731.0167 -2749.4156 630.0162 -7513.6981 -1495.1857 -425.7452 -1141.2434 -2683.5748 -4451.1388 -3790.0943 195.3459 -190.5716 -2934.3939</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="Cl" id="a1" x3="-3.373222" y3="-2.011691" z3="-2.649662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.009002" y3="-0.083275" z3="3.787518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.13254" y3="-1.913913" z3="2.039674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.585209" y3="-5.556778" z3="1.510511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.983724" y3="-4.037807" z3="2.03443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.8813" y3="-2.861909" z3="4.80958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.444328" y3="-6.286354" z3="-1.548649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.444354" y3="-4.221809" z3="-0.610596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-2.991851" y3="-4.300027" z3="-0.731785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.621373" y3="-6.016994" z3="-1.764469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.435137" y3="-5.344187" z3="-0.833825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-6.098562" y3="-6.116277" z3="-1.999289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.784421" y3="-4.597812" z3="-1.161759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.182205" y3="-3.117039" z3="1.238092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.00698" y3="-3.004542" z3="-0.100629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.562623" y3="-4.293858" z3="2.176256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.222347" y3="-7.140377" z3="-0.864045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.87697" y3="-4.038193" z3="2.940622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.933876" y3="-5.237999" z3="-1.067438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.79228" y3="-2.706238" z3="3.716284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.33375" y3="-1.562598" z3="2.776081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.395283" y3="-2.010511" z3="-1.162359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.15726" y3="-2.739262" z3="-0.550821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-8.223906" y3="-8.534426" z3="-1.550874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.193728" y3="-0.539989" z3="-0.714318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.940722" y3="-9.601013" z3="-0.68795">
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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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                           </atom>
                           <atom elementType="H" id="a28" x3="-2.677932" y3="-6.249015" z3="2.173418">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.691252" y3="-3.796581" z3="4.938661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.384569" y3="-4.230343" z3="0.403249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.080922" y3="-4.649071" z3="-0.996973">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.174337" y3="-6.144852" z3="-2.697361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.303199" y3="-5.731143" z3="0.181464">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.799066" y3="-7.160392" z3="-1.929405">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.867525" y3="-5.576745" z3="-2.917983">
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                           <atom elementType="H" id="a37" x3="-8.472575" y3="-4.64731" z3="-0.318668">
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                           <atom elementType="H" id="a38" x3="-8.002313" y3="-3.896212" z3="-1.96551">
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                           <atom elementType="H" id="a40" x3="-4.032175" y3="-2.745246" z3="0.160839">
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                           <atom elementType="H" id="a41" x3="-1.739522" y3="-4.420019" z3="2.884092">
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                           <atom elementType="H" id="a42" x3="-7.574804" y3="-7.229028" z3="0.011996">
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                           <atom elementType="H" id="a43" x3="-9.268098" y3="-6.872277" z3="-0.70021">
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                           <atom elementType="H" id="a44" x3="-4.081913" y3="-4.865476" z3="3.626314">
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                           <atom elementType="H" id="a56" x3="-8.767054" y3="-9.405973" z3="0.372685">
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                           <atom elementType="H" id="a57" x3="-10.015187" y3="-9.578459" z3="-0.879616">
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                           <atom elementType="H" id="a58" x3="-8.557925" y3="-10.593309" z3="-0.932297">
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                           <atom elementType="H" id="a59" x3="-1.894647" y3="1.955272" z3="3.211163">
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                           <atom elementType="H" id="a60" x3="-1.518984" y3="0.670631" z3="2.040375">
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                           <atom elementType="H" id="a61" x3="-3.087006" y3="1.514461" z3="1.964368">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3732,-2.0117,-2.6497;-3.009,-.0833,3.7875;-2.1325,-1.9139,2.0397;-2.5852,-5.5568,1.5105;-4.9837,-4.0378,2.0344;-2.8813,-2.8619,4.8096;-3.4443,-6.2864,-1.5486;-6.4444,-4.2218,-.6106;-2.9919,-4.3,-.7318;-7.6214,-6.017,-1.7645;-5.4351,-5.3442,-.8338;-6.0986,-6.1163,-1.9993;-7.7844,-4.5978,-1.1618;-2.1822,-3.117,1.2381;-3.007,-3.0045,-.1006;-2.5626,-4.2939,2.1763;-8.2223,-7.1404,-.864;-3.877,-4.0382,2.9406;-3.9339,-5.238,-1.0674;-3.7923,-2.7062,3.7163;-3.3338,-1.5626,2.7761;-2.3953,-2.0105,-1.1624;-6.1573,-2.7393,-.5508;-8.2239,-8.5344,-1.5509;-2.1937,-.54,-.7143;-8.9407,-9.601,-.6879;-2.3109,1.1327,2.6292;-2.6779,-6.249,2.1734;-5.7979,-4.1127,2.5433;-2.6913,-3.7966,4.9387;-6.3846,-4.2303,.4032;-2.0809,-4.6491,-.997;-8.1743,-6.1449,-2.6974;-5.3032,-5.7311,.1815;-5.7991,-7.1604,-1.9294;-5.8675,-5.5767,-2.918;-8.4726,-4.6473,-.3187;-8.0023,-3.8962,-1.9655;-1.1597,-3.2838,.8897;-4.0322,-2.7452,.1608;-1.7395,-4.42,2.8841;-7.5748,-7.229,.012;-9.2681,-6.8723,-.7002;-4.0819,-4.8655,3.6263;-4.7558,-2.4394,4.1596;-4.0794,-1.5151,1.9778;-1.3765,-2.3986,-1.2396;-6.0553,-2.4219,.4864;-5.2377,-2.5149,-1.0891;-6.9795,-2.1953,-1.0139;-8.8028,-8.432,-2.471;-7.1825,-8.8499,-1.637;-2.2048,-.4838,.3709;-1.2344,-.173,-1.0819;-2.991,.0882,-1.1131;-8.7671,-9.406,.3727;-10.0152,-9.5785,-.8796;-8.5579,-10.5933,-.9323;-1.8946,1.9553,3.2112;-1.519,.6706,2.0404;-3.087,1.5145,1.9644;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2505116 0.0962892 0.0843208</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.24552" y3="-1.778083" z3="-2.579394">
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                           <atom elementType="O" id="a4" x3="-2.745482" y3="-5.574512" z3="1.435061">
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                           <atom elementType="O" id="a5" x3="-5.038441" y3="-3.976087" z3="2.214318">
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                           <atom elementType="O" id="a6" x3="-2.630952" y3="-3.010667" z3="4.847449">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.603406" y3="-6.210587" z3="-1.656147">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.660687" y3="-4.104595" z3="-0.915753">
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                           <atom elementType="C" id="a11" x3="-5.543464" y3="-5.233574" z3="-0.995242">
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                           <atom elementType="C" id="a12" x3="-6.115382" y3="-6.169426" z3="-2.066742">
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                           <atom elementType="C" id="a14" x3="-2.198018" y3="-3.172651" z3="1.256121">
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                           <atom elementType="C" id="a15" x3="-3.030513" y3="-2.927998" z3="-0.066876">
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                           <atom elementType="C" id="a16" x3="-2.620323" y3="-4.351854" z3="2.165157">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.185327" y3="-7.133068" z3="-0.83478">
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                           <atom elementType="C" id="a18" x3="-3.851883" y3="-4.076704" z3="3.028669">
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                           <atom elementType="C" id="a20" x3="-3.634311" y3="-2.801812" z3="3.846893">
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                           <atom elementType="C" id="a21" x3="-3.208657" y3="-1.665543" z3="2.908864">
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                           <atom elementType="C" id="a22" x3="-2.331307" y3="-1.891944" z3="-1.026752">
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                           <atom elementType="C" id="a23" x3="-6.544654" y3="-2.574711" z3="-1.151872">
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                           <atom elementType="C" id="a24" x3="-8.063509" y3="-8.582852" z3="-1.360931">
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                           <atom elementType="C" id="a25" x3="-2.078307" y3="-0.476737" z3="-0.447725">
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                           <atom elementType="H" id="a33" x3="-8.144781" y3="-6.347429" z3="-2.821871">
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                                 <scalar dataType="xsd:integer">0</scalar>
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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 elementType="H" id="a60" x3="-1.434269" y3="0.522715" z3="2.052497">
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                           <atom elementType="H" id="a61" x3="-2.996332" y3="1.391667" z3="2.095911">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2455,-1.7781,-2.5794;-2.7849,-.2328,3.9293;-2.0495,-2.0346,2.1086;-2.7455,-5.5745,1.4351;-5.0384,-3.9761,2.2143;-2.631,-3.0107,4.8474;-3.6034,-6.2106,-1.6561;-6.6607,-4.1046,-.9158;-3.0887,-4.1978,-.7871;-7.647,-6.112,-1.8745;-5.5435,-5.2336,-.9952;-6.1154,-6.1694,-2.0667;-7.9588,-4.6547,-1.4673;-2.198,-3.1727,1.2561;-3.0305,-2.928,-.0669;-2.6203,-4.3519,2.1652;-8.1853,-7.1331,-.8348;-3.8519,-4.0767,3.0287;-3.9983,-5.1296,-1.1983;-3.6343,-2.8018,3.8469;-3.2087,-1.6655,2.9089;-2.3313,-1.8919,-1.0268;-6.5447,-2.5747,-1.1519;-8.0635,-8.5829,-1.3609;-2.0783,-.4767,-.4477;-8.7385,-9.5654,-.3672;-2.1846,.977,2.6985;-2.8315,-6.2798,2.0945;-5.7802,-4.0383,2.8368;-2.4656,-3.9583,4.9506;-6.717,-4.0497,.1069;-2.1797,-4.5719,-1.0365;-8.1448,-6.3474,-2.8219;-5.491,-5.6223,.0331;-5.7417,-7.1749,-1.9051;-5.844,-5.7537,-3.0382;-8.6985,-4.6149,-.6705;-8.2087,-4.0568,-2.3401;-1.1769,-3.3834,.9114;-4.0237,-2.6196,.2077;-1.776,-4.4827,2.8552;-7.5975,-7.0585,.0898;-9.2471,-6.9094,-.6833;-4.0081,-4.9209,3.7173;-4.5628,-2.5097,4.3603;-4.0393,-1.4939,2.21;-1.3416,-2.3323,-1.2048;-6.517,-2.0565,-.1979;-5.6741,-2.335,-1.7427;-7.4224,-2.2554,-1.7109;-8.5859,-8.6413,-2.322;-7.0044,-8.8457,-1.4383;-2.0836,-.5144,.6354;-1.1042,-.1087,-.7778;-2.84,.2342,-.7737;-8.6004,-9.2418,.6714;-9.8155,-9.6394,-.5509;-8.313,-10.5691,-.4622;-1.7193,1.7754,3.2782;-1.4343,.5227,2.0525;-2.9963,1.3917,2.0959;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2413671 0.0953358 0.0820996</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="S" id="a2" x3="-3.177543" y3="-0.474118" z3="3.991469">
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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 elementType="O" id="a4" x3="-2.685631" y3="-5.658004" z3="1.18476">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.091912" y3="-4.152702" z3="1.802126">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-2.979414" y3="-3.287044" z3="4.709575">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a7" x3="-3.368084" y3="-6.108475" z3="-1.920192">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.410646" y3="-4.020227" z3="-0.889634">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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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 elementType="H" id="a34" x3="-5.282517" y3="-5.616015" z3="-0.057485">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
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                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
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                  </module>
               </module>
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                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.450113" y3="-1.351226" z3="-2.664636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.271931" y3="-0.792785" z3="4.047853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.380205" y3="-2.394407" z3="2.090349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.152522" y3="-5.72609" z3="0.738299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.449507" y3="-3.981236" z3="1.440198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.468997" y3="-3.712901" z3="4.521185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.4394" y3="-5.809457" z3="-2.535201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.215708" y3="-3.885738" z3="-1.017941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-2.932281" y3="-3.997326" z3="-1.290655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.492441" y3="-5.977818" z3="-1.466642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.250391" y3="-5.070141" z3="-1.260298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-6.077679" y3="-6.076464" z3="-2.051983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.627752" y3="-4.468686" z3="-1.241494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.434044" y3="-3.392631" z3="1.044558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-2.987589" y3="-2.889734" z3="-0.341884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.091076" y3="-4.661132" z3="1.665872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.74804" y3="-6.828241" z3="-0.211793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-4.435137" y3="-4.37508" z3="2.365835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.818203" y3="-4.903816" z3="-1.789296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-4.255872" y3="-3.26883" z3="3.427045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.599073" y3="-2.050448" z3="2.751431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.075233" y3="-1.753548" z3="-0.90183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-5.992092" y3="-2.602537" z3="-1.765839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.819748" y3="-8.338022" z3="-0.462324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.035067" y3="-0.444931" z3="-0.128444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.214862" y3="-9.139064" z3="0.781044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-2.694024" y3="0.670708" z3="3.122661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-3.354721" y3="-6.537462" z3="1.223444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="-6.296881" y3="-4.024488" z3="1.905032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-3.483329" y3="-4.677104" z3="4.56058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.119349" y3="-3.692298" z3="-0.022546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-1.989468" y3="-4.290966" z3="-1.525717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.214988" y3="-6.26809" z3="-2.234521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.089633" y3="-5.462639" z3="-0.257744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.645197" y3="-7.074135" z3="-1.949361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.064919" y3="-5.838751" z3="-3.121431">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.229178" y3="-4.177088" z3="-0.378446">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-8.042211" y3="-3.988333" z3="-2.126126">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.381049" y3="-3.63217" z3="0.874589">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.020591" y3="-2.561845" z3="-0.205984">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a41" x3="-2.39863" y3="-4.903929" z3="2.482028">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-6.982534" y3="-6.621954" z3="0.54699">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-8.695328" y3="-6.50279" z3="0.236205">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a44" x3="-4.75116" y3="-5.295675" z3="2.87467">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-5.245614" y3="-2.954322" z3="3.785476">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-4.314815" y3="-1.630608" z3="2.039004">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a47" x3="-1.07396" y3="-2.172236" z3="-1.005703">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.656426" y3="-1.841327" z3="-1.067913">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.254259" y3="-2.776841" z3="-2.550169">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a50" x3="-6.933673" y3="-2.287611" z3="-2.206751">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.542937" y3="-8.526807" z3="-1.265389">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-6.858797" y3="-8.702613" z3="-0.843884">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.221933" y3="-0.638381" z3="0.925925">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a54" x3="-1.053395" y3="0.024089" z3="-0.222688">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a55" x3="-2.786413" y3="0.254842" z3="-0.499636">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-7.734671" y3="-8.733387" z3="1.677588">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.296922" y3="-9.109735" z3="0.943521">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-7.919552" y3="-10.189026" z3="0.69579">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.432523" y3="1.402196" z3="3.890868">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a60" x3="-1.798203" y3="0.441696" z3="2.545656">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-3.473909" y3="1.086032" z3="2.483004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4501,-1.3512,-2.6646;-3.2719,-.7928,4.0479;-2.3802,-2.3944,2.0903;-3.1525,-5.7261,.7383;-5.4495,-3.9812,1.4402;-3.469,-3.7129,4.5212;-3.4394,-5.8095,-2.5352;-6.2157,-3.8857,-1.0179;-2.9323,-3.9973,-1.2907;-7.4924,-5.9778,-1.4666;-5.2504,-5.0701,-1.2603;-6.0777,-6.0765,-2.052;-7.6278,-4.4687,-1.2415;-2.434,-3.3926,1.0446;-2.9876,-2.8897,-.3419;-3.0911,-4.6611,1.6659;-7.748,-6.8282,-.2118;-4.4351,-4.3751,2.3658;-3.8182,-4.9038,-1.7893;-4.2559,-3.2688,3.427;-3.5991,-2.0504,2.7514;-2.0752,-1.7535,-.9018;-5.9921,-2.6025,-1.7658;-7.8197,-8.338,-.4623;-2.0351,-.4449,-.1284;-8.2149,-9.1391,.781;-2.694,.6707,3.1227;-3.3547,-6.5375,1.2234;-6.2969,-4.0245,1.905;-3.4833,-4.6771,4.5606;-6.1193,-3.6923,-.0225;-1.9895,-4.291,-1.5257;-8.215,-6.2681,-2.2345;-5.0896,-5.4626,-.2577;-5.6452,-7.0741,-1.9494;-6.0649,-5.8388,-3.1214;-8.2292,-4.1771,-.3784;-8.0422,-3.9883,-2.1261;-1.381,-3.6322,.8746;-4.0206,-2.5618,-.206;-2.3986,-4.9039,2.482;-6.9825,-6.622,.547;-8.6953,-6.5028,.2362;-4.7512,-5.2957,2.8747;-5.2456,-2.9543,3.7855;-4.3148,-1.6306,2.039;-1.074,-2.1722,-1.0057;-5.6564,-1.8413,-1.0679;-5.2543,-2.7768,-2.5502;-6.9337,-2.2876,-2.2068;-8.5429,-8.5268,-1.2654;-6.8588,-8.7026,-.8439;-2.2219,-.6384,.9259;-1.0534,.0241,-.2227;-2.7864,.2548,-.4996;-7.7347,-8.7334,1.6776;-9.2969,-9.1097,.9435;-7.9196,-10.189,.6958;-2.4325,1.4022,3.8909;-1.7982,.4417,2.5457;-3.4739,1.086,2.483;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2139489 0.1185731 0.0913925</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.905581" y3="-1.526847" z3="-2.746086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.64494" y3="-0.863523" z3="4.547351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.140761" y3="-2.255162" z3="2.24971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.210436" y3="-5.457414" z3="0.882917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.321193" y3="-3.71168" z3="2.038913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.843341" y3="-3.69589" z3="4.747812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.490274" y3="-5.865489" z3="-2.157029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.564054" y3="-4.030225" z3="-1.452632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.131586" y3="-3.919564" z3="-1.057004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.54507" y3="-6.264754" z3="-1.832065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.474196" y3="-5.118799" z3="-1.282454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-6.026838" y3="-6.293778" z3="-2.08599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.84701" y3="-4.766169" z3="-1.874329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.395476" y3="-3.193706" z3="1.165067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.119987" y3="-2.738124" z3="-0.185217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.985786" y3="-4.449847" z3="1.845704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-8.005938" y3="-6.95985" z3="-0.542495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-4.187439" y3="-4.184501" z3="2.762671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.97946" y3="-4.90276" z3="-1.549039">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.792918" y3="-3.162843" z3="3.837918">
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                           <atom elementType="C" id="a21" x3="-3.211793" y3="-1.923004" z3="3.148757">
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                           <atom elementType="C" id="a22" x3="-2.289548" y3="-1.67251" z3="-1.007538">
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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 elementType="C" id="a26" x3="-8.488877" y3="-9.162927" z3="0.653066">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.142786" y3="0.75157" z3="3.862117">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.35514" y3="-6.292434" z3="1.348635">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-6.096237" y3="-3.750723" z3="2.617181">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.893819" y3="-4.660452" z3="4.740074">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-6.704186" y3="-3.678104" z3="-0.500252">
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                           <atom elementType="H" id="a32" x3="-2.185998" y3="-4.208471" z3="-1.28034">
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                           <atom elementType="H" id="a34" x3="-5.487756" y3="-5.36869" z3="-0.218405">
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                           <atom elementType="H" id="a58" x3="-8.099165" y3="-10.177147" z3="0.774998">
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                           <atom elementType="H" id="a60" x3="-1.315062" y3="0.652638" z3="3.164769">
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                           <atom elementType="H" id="a61" x3="-2.979211" y3="1.281316" z3="3.403037">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9056,-1.5268,-2.7461;-2.6449,-.8635,4.5474;-2.1408,-2.2552,2.2497;-3.2104,-5.4574,.8829;-5.3212,-3.7117,2.0389;-2.8433,-3.6959,4.7478;-3.4903,-5.8655,-2.157;-6.5641,-4.0302,-1.4526;-3.1316,-3.9196,-1.057;-7.5451,-6.2648,-1.8321;-5.4742,-5.1188,-1.2825;-6.0268,-6.2938,-2.086;-7.847,-4.7662,-1.8743;-2.3955,-3.1937,1.1651;-3.12,-2.7381,-.1852;-2.9858,-4.4498,1.8457;-8.0059,-6.9599,-.5425;-4.1874,-4.1845,2.7627;-3.9795,-4.9028,-1.549;-3.7929,-3.1628,3.8379;-3.2118,-1.923,3.1488;-2.2895,-1.6725,-1.0075;-6.2847,-2.8538,-2.3614;-7.8922,-8.4864,-.5879;-2.1283,-.2441,-.5071;-8.4889,-9.1629,.6531;-2.1428,.7516,3.8621;-3.3551,-6.2924,1.3486;-6.0962,-3.7507,2.6172;-2.8938,-4.6605,4.7401;-6.7042,-3.6781,-.5003;-2.186,-4.2085,-1.2803;-8.0574,-6.7312,-2.6793;-5.4878,-5.3687,-.2184;-5.5589,-7.2207,-1.7439;-5.7933,-6.1868,-3.1502;-8.6501,-4.4275,-1.2166;-8.0727,-4.4558,-2.8935;-1.3878,-3.4754,.8436;-4.1314,-2.4041,.0179;-2.1885,-4.7554,2.5367;-7.4429,-6.5775,.3217;-9.0543,-6.6853,-.3619;-4.4421,-5.1309,3.2609;-4.6937,-2.8477,4.3842;-4.0263,-1.4318,2.6028;-1.3113,-2.1287,-1.1744;-6.17,-1.9353,-1.797;-5.3835,-3.0478,-2.9373;-7.1232,-2.7155,-3.0397;-8.4059,-8.8512,-1.4882;-6.8401,-8.7805,-.6991;-2.1492,-.2409,.5675;-1.1712,.169,-.8349;-2.9263,.3994,-.8842;-8.2481,-8.6028,1.564;-9.5796,-9.2278,.5847;-8.0992,-10.1771,.775;-1.7912,1.3209,4.7253;-1.3151,.6526,3.1648;-2.9792,1.2813,3.403;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2114554 0.1032630 0.0803667</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-3.176879" y3="-5.784296" z3="1.254415">
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                           <atom elementType="O" id="a5" x3="-5.413667" y3="-3.95136" z3="1.980148">
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                           <atom elementType="O" id="a6" x3="-3.093388" y3="-3.335276" z3="4.75491">
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.457478" y3="-5.68093" z3="-2.635042">
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                           <atom elementType="N" id="a8" x3="-6.37196" y3="-3.988325" z3="-1.095656">
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                           <atom elementType="C" id="a18" x3="-4.289863" y3="-4.230049" z3="2.81205">
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                           <atom elementType="H" id="a31" x3="-6.298189" y3="-3.843149" z3="-0.083796">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.129154" y3="-4.245353" z3="-1.540232">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.313498" y3="-6.312456" z3="-2.466291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.250929" y3="-5.61031" z3="-0.388728">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.729887" y3="-7.116956" z3="-2.195381">
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                           <atom elementType="H" id="a36" x3="-6.15729" y3="-5.825272" z3="-3.288642">
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                           <atom elementType="H" id="a37" x3="-8.397342" y3="-4.327249" z3="-0.505609">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-8.181202" y3="-4.045337" z3="-2.229665">
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                           <atom elementType="H" id="a39" x3="-1.395448" y3="-3.685406" z3="0.911867">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.035134" y3="-2.496058" z3="-0.07066">
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                           <atom elementType="H" id="a41" x3="-2.27343" y3="-4.715833" z3="2.777265">
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                           <atom elementType="H" id="a42" x3="-7.122297" y3="-6.812846" z3="0.329008">
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                           <atom elementType="H" id="a43" x3="-8.825959" y3="-6.692689" z3="-0.00373">
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                           <atom elementType="H" id="a57" x3="-9.405904" y3="-9.345891" z3="0.53981">
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                           <atom elementType="H" id="a58" x3="-8.01323" y3="-10.393877" z3="0.250647">
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                           <atom elementType="H" id="a59" x3="-2.131096" y3="1.630733" z3="3.633332">
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                           <atom elementType="H" id="a60" x3="-1.641023" y3="0.596751" z3="2.286325">
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                           <atom elementType="H" id="a61" x3="-3.303233" y3="1.269994" z3="2.343669">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6141,-1.3825,-2.5605;-2.9823,-.5328,3.9854;-2.253,-2.3606,2.1268;-3.1769,-5.7843,1.2544;-5.4137,-3.9514,1.9801;-3.0934,-3.3353,4.7549;-3.4575,-5.6809,-2.635;-6.372,-3.9883,-1.0957;-3.0702,-3.9767,-1.2671;-7.6073,-6.0651,-1.6662;-5.3784,-5.1529,-1.3737;-6.1779,-6.1262,-2.2374;-7.7742,-4.5696,-1.3672;-2.43,-3.4165,1.1532;-3.0489,-2.9163,-.2488;-3.0384,-4.5904,1.998;-7.8698,-6.9839,-.4594;-4.2899,-4.23,2.8121;-3.9271,-4.8734,-1.8354;-3.9996,-3.0179,3.7081;-3.4115,-1.9034,2.8405;-2.1101,-1.8138,-.833;-6.1545,-2.6607,-1.8049;-7.9154,-8.4771,-.8077;-1.9413,-.5184,-.0539;-8.321,-9.3525,.3884;-2.4741,.8686,2.9298;-3.3148,-6.5063,1.8863;-6.1955,-3.9441,2.5533;-3.1056,-4.2886,4.9169;-6.2982,-3.8431,-.0838;-2.1292,-4.2454,-1.5402;-8.3135,-6.3125,-2.4663;-5.2509,-5.6103,-.3887;-5.7299,-7.117,-2.1954;-6.1573,-5.8253,-3.2886;-8.3973,-4.3272,-.5056;-8.1812,-4.0453,-2.2297;-1.3954,-3.6854,.9119;-4.0351,-2.4961,-.0707;-2.2734,-4.7158,2.7773;-7.1223,-6.8128,.329;-8.826,-6.6927,-.0037;-4.5283,-5.0834,3.4658;-4.9505,-2.6553,4.127;-4.1832,-1.5405,2.15;-1.1375,-2.2835,-1.0042;-5.8262,-1.9194,-1.0821;-5.415,-2.781,-2.5925;-7.0969,-2.3362,-2.239;-8.6199,-8.6286,-1.6366;-6.9461,-8.8088,-1.1997;-2.0579,-.7152,1.0017;-.944,-.1039,-.2198;-2.6779,.2288,-.3572;-7.8603,-8.9959,1.3173;-9.4059,-9.3459,.5398;-8.0132,-10.3939,.2506;-2.1311,1.6307,3.6333;-1.641,.5968,2.2863;-3.3032,1.27,2.3437;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2173716 0.1071731 0.0850448</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.50237" y3="-1.361982" z3="-2.626179">
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                           <atom elementType="O" id="a4" x3="-3.171671" y3="-5.754661" z3="0.923206">
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                           <atom elementType="O" id="a5" x3="-5.443382" y3="-3.971819" z3="1.63224">
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                           <atom elementType="O" id="a6" x3="-3.338804" y3="-3.578225" z3="4.61456">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.445644" y3="-5.762506" z3="-2.577399">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.271376" y3="-3.920592" z3="-1.046924">
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                           <atom elementType="C" id="a12" x3="-6.115394" y3="-6.092053" z3="-2.122442">
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                           <atom elementType="C" id="a14" x3="-2.431134" y3="-3.404234" z3="1.083838">
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                           <atom elementType="C" id="a16" x3="-3.077836" y3="-4.639828" z3="1.787161">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.794519" y3="-6.882499" z3="-0.304783">
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                           <atom elementType="C" id="a18" x3="-4.390096" y3="-4.325073" z3="2.528721">
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                           <atom elementType="C" id="a19" x3="-3.856879" y3="-4.89171" z3="-1.809453">
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                           <atom elementType="C" id="a20" x3="-4.166921" y3="-3.178667" z3="3.533052">
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                           <atom elementType="C" id="a21" x3="-3.528534" y3="-1.99718" z3="2.786554">
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                           <atom elementType="C" id="a22" x3="-2.081837" y3="-1.776825" z3="-0.875122">
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                           <atom elementType="C" id="a23" x3="-6.048678" y3="-2.620707" z3="-1.779897">
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                           <atom elementType="C" id="a24" x3="-7.858458" y3="-8.38672" z3="-0.592338">
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                           <atom elementType="C" id="a25" x3="-1.992605" y3="-0.473267" z3="-0.097033">
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                           <atom elementType="C" id="a26" x3="-8.258349" y3="-9.215723" z3="0.633649">
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                           <atom elementType="H" id="a44" x3="-4.683097" y3="-5.2226" z3="3.091888">
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                           <atom elementType="H" id="a48" x3="-5.71485" y3="-1.867571" z3="-1.072229">
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                           <atom elementType="H" id="a49" x3="-5.310364" y3="-2.775411" z3="-2.565962">
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                           <atom elementType="H" id="a58" x3="-7.959669" y3="-10.263118" z3="0.5283">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a59" x3="-2.310321" y3="1.484915" z3="3.80491">
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                           <atom elementType="H" id="a60" x3="-1.728579" y3="0.496648" z3="2.45751">
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                           <atom elementType="H" id="a61" x3="-3.399249" y3="1.154491" z3="2.436755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5024,-1.362,-2.6262;-3.1613,-.6981,4.0309;-2.3309,-2.3848,2.1056;-3.1717,-5.7547,.9232;-5.4434,-3.9718,1.6322;-3.3388,-3.5782,4.6146;-3.4456,-5.7625,-2.5774;-6.2714,-3.9206,-1.0469;-2.9804,-3.9897,-1.2846;-7.5354,-6.0062,-1.5419;-5.297,-5.0988,-1.3035;-6.1154,-6.0921,-2.1224;-7.6805,-4.5015,-1.2884;-2.4311,-3.4042,1.0838;-3.0065,-2.8998,-.3084;-3.0778,-4.6398,1.7872;-7.7945,-6.8825,-.3048;-4.3901,-4.3251,2.5287;-3.8569,-4.8917,-1.8095;-4.1669,-3.1787,3.5331;-3.5285,-1.9972,2.7866;-2.0818,-1.7768,-.8751;-6.0487,-2.6207,-1.7799;-7.8585,-8.3867,-.5923;-1.9926,-.4733,-.097;-8.2583,-9.2157,.6336;-2.6027,.7427,3.0585;-3.3556,-6.5358,1.4639;-6.2694,-3.9963,2.1367;-3.3566,-4.5402,4.6985;-6.183,-3.7455,-.0451;-2.0385,-4.2755,-1.5341;-8.2524,-6.2797,-2.322;-5.1488,-5.5159,-.307;-5.6784,-7.0882,-2.0429;-6.0995,-5.8303,-3.1855;-8.2896,-4.228,-.4252;-8.0917,-4.0039,-2.1648;-1.3845,-3.6563,.8886;-4.0231,-2.5359,-.1571;-2.3605,-4.8417,2.5937;-7.0353,-6.6902,.4652;-8.7447,-6.5688,.1466;-4.6831,-5.2226,3.0919;-5.143,-2.8449,3.9131;-4.2627,-1.5962,2.0801;-1.091,-2.2162,-1.0036;-5.7149,-1.8676,-1.0722;-5.3104,-2.7754,-2.566;-6.9903,-2.3009,-2.218;-8.5751,-8.5607,-1.4052;-6.8948,-8.7401,-.9783;-2.1548,-.6683,.9581;-1.0033,-.0259,-.2161;-2.7379,.2458,-.443;-7.7848,-8.8289,1.5426;-9.3414,-9.1937,.7924;-7.9597,-10.2631,.5283;-2.3103,1.4849,3.8049;-1.7286,.4966,2.4575;-3.3992,1.1545,2.4368;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2151281 0.1142180 0.0890148</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.74009" y3="-1.342931" z3="-2.622156">
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                           <atom elementType="S" id="a2" x3="-3.281186" y3="-1.150589" z3="4.264908">
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                           <atom elementType="O" id="a4" x3="-3.042139" y3="-5.806429" z3="0.614403">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.39244" y3="-4.220099" z3="1.436607">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-3.355951" y3="-4.051332" z3="4.497358">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a7" x3="-3.36233" y3="-5.721725" z3="-2.637007">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.176843" y3="-3.788603" z3="-1.391017">
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                           <atom elementType="C" id="a12" x3="-6.028613" y3="-6.114254" z3="-2.043751">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-2.413572" y3="-3.463146" z3="1.030352">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.013761" y3="-2.903245" z3="-0.323882">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.005861" y3="-4.788378" z3="1.593234">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.714489" y3="-6.537686" z3="-0.11428">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-4.344015" y3="-4.613602" z3="2.325102">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.784202" y3="-4.865424" z3="-1.859224">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-4.18655" y3="-3.573368" z3="3.4515">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.588238" y3="-2.288041" z3="2.854341">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.770778" y3="-8.068628" z3="-0.114943">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.225125" y3="-0.389746" z3="-0.121906">
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                           <atom elementType="C" id="a26" x3="-8.164152" y3="-8.653932" z3="1.246136">
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                           <atom elementType="C" id="a27" x3="-2.961557" y3="0.478601" z3="3.505961">
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                           <atom elementType="H" id="a33" x3="-8.174134" y3="-6.331005" z3="-2.205819">
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                           <atom elementType="H" id="a34" x3="-5.112681" y3="-5.23847" z3="-0.320312">
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                           <atom elementType="H" id="a35" x3="-5.59746" y3="-7.082843" z3="-1.785158">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
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                  </module>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.613404" y3="-1.315978" z3="-2.50722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.905402" y3="-0.871844" z3="4.148902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.234094" y3="-2.468871" z3="2.113944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.095074" y3="-5.829134" z3="0.967146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.297502" y3="-3.889224" z3="1.522283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.324775" y3="-3.682822" z3="4.624727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.517625" y3="-5.598245" z3="-2.794467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.275494" y3="-3.898871" z3="-1.226909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.016155" y3="-4.005656" z3="-1.295611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.55205" y3="-5.994726" z3="-1.57856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.330227" y3="-5.103229" z3="-1.358092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-6.130302" y3="-6.118843" z3="-2.165841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.698063" y3="-4.4748" z3="-1.411677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.379287" y3="-3.491233" z3="1.107528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.015243" y3="-2.975898" z3="-0.243922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.017081" y3="-4.704279" z3="1.822802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.785266" y3="-6.786904" z3="-0.278998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-4.347565" y3="-4.342109" z3="2.497159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.89914" y3="-4.879553" z3="-1.871303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-4.110135" y3="-3.23059" z3="3.533722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.395661" y3="-2.061351" z3="2.846488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.139317" y3="-1.791385" z3="-0.777755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-5.998702" y3="-2.730842" z3="-2.148742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.82866" y3="-8.307839" z3="-0.478635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.138271" y3="-0.510204" z3="0.041499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.182253" y3="-9.062113" z3="0.809744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a27" x3="-2.691011" y3="0.692372" z3="3.229701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-3.256225" y3="-6.61056" z3="1.515996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-6.165381" y3="-3.813833" z3="1.94597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-3.542282" y3="-4.605119" z3="4.819115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.184783" y3="-3.592502" z3="-0.25062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.095528" y3="-4.17312" z3="-1.689176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.294354" y3="-6.320654" z3="-2.314955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.22248" y3="-5.458423" z3="-0.336921">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.701778" y3="-7.115025" z3="-2.055129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.113309" y3="-5.871304" z3="-3.231145">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.309571" y3="-4.154173" z3="-0.568361">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-8.088353" y3="-4.024066" z3="-2.321951">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.34317" y3="-3.758831" z3="0.876393">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a40" x3="-4.030643" y3="-2.618547" z3="-0.065906">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a41" x3="-2.324364" y3="-4.918147" z3="2.64699">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-7.019544" y3="-6.539846" z3="0.467901">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-8.739692" y3="-6.457432" z3="0.153256">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a44" x3="-4.72423" y3="-5.23725" z3="3.014845">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-5.081542" y3="-2.854228" z3="3.887656">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a46" x3="-4.119369" y3="-1.573553" z3="2.182058">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a47" x3="-1.117483" y3="-2.15435" z3="-0.915152">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.549602" y3="-1.917034" z3="-1.58696">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.31753" y3="-3.042648" z3="-2.936328">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-6.933085" y3="-2.38879" z3="-2.587448">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a51" x3="-8.56661" y3="-8.54373" z3="-1.257091">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a52" x3="-6.864403" y3="-8.665854" z3="-0.859395">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.048335" y3="-0.758983" z3="1.09527">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a54" x3="-1.286846" y3="0.114286" z3="-0.238209">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.055745" y3="0.061729" z3="-0.115698">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-7.592928" y3="-8.695731" z3="1.658352">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.240009" y3="-8.937977" z3="1.06565">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-7.986484" y3="-10.134349" z3="0.710528">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.546588" y3="1.455891" z3="3.99749">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a60" x3="-1.807131" y3="0.670859" z3="2.591907">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-3.579022" y3="0.942125" z3="2.645585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6134,-1.316,-2.5072;-2.9054,-.8718,4.1489;-2.2341,-2.4689,2.1139;-3.0951,-5.8291,.9671;-5.2975,-3.8892,1.5223;-3.3248,-3.6828,4.6247;-3.5176,-5.5982,-2.7945;-6.2755,-3.8989,-1.2269;-3.0162,-4.0057,-1.2956;-7.5521,-5.9947,-1.5786;-5.3302,-5.1032,-1.3581;-6.1303,-6.1188,-2.1658;-7.6981,-4.4748,-1.4117;-2.3793,-3.4912,1.1075;-3.0152,-2.9759,-.2439;-3.0171,-4.7043,1.8228;-7.7853,-6.7869,-.279;-4.3476,-4.3421,2.4972;-3.8991,-4.8796,-1.8713;-4.1101,-3.2306,3.5337;-3.3957,-2.0614,2.8465;-2.1393,-1.7914,-.7778;-5.9987,-2.7308,-2.1487;-7.8287,-8.3078,-.4786;-2.1383,-.5102,.0415;-8.1823,-9.0621,.8097;-2.691,.6924,3.2297;-3.2562,-6.6106,1.516;-6.1654,-3.8138,1.946;-3.5423,-4.6051,4.8191;-6.1848,-3.5925,-.2506;-2.0955,-4.1731,-1.6892;-8.2944,-6.3207,-2.315;-5.2225,-5.4584,-.3369;-5.7018,-7.115,-2.0551;-6.1133,-5.8713,-3.2311;-8.3096,-4.1542,-.5684;-8.0884,-4.0241,-2.322;-1.3432,-3.7588,.8764;-4.0306,-2.6185,-.0659;-2.3244,-4.9181,2.647;-7.0195,-6.5398,.4679;-8.7397,-6.4574,.1533;-4.7242,-5.2373,3.0148;-5.0815,-2.8542,3.8877;-4.1194,-1.5736,2.1821;-1.1175,-2.1543,-.9152;-5.5496,-1.917,-1.587;-5.3175,-3.0426,-2.9363;-6.9331,-2.3888,-2.5874;-8.5666,-8.5437,-1.2571;-6.8644,-8.6659,-.8594;-2.0483,-.759,1.0953;-1.2868,.1143,-.2382;-3.0557,.0617,-.1157;-7.5929,-8.6957,1.6584;-9.24,-8.938,1.0656;-7.9865,-10.1343,.7105;-2.5466,1.4559,3.9975;-1.8071,.6709,2.5919;-3.579,.9421,2.6456;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2144705 0.1152500 0.0892404</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.536629" y3="-1.276128" z3="-2.530193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.919955" y3="-1.10865" z3="4.216205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.304293" y3="-2.607615" z3="2.097504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.29724" y3="-5.8575" z3="0.726065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.458015" y3="-3.954211" z3="1.512011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.351117" y3="-3.966682" z3="4.528818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.42567" y3="-5.59415" z3="-2.869998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.170514" y3="-3.820309" z3="-1.389767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-2.954683" y3="-3.960119" z3="-1.392183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.461337" y3="-5.938595" z3="-1.515423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.237274" y3="-5.036198" z3="-1.434908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-6.057647" y3="-6.116016" z3="-2.129503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.599163" y3="-4.408404" z3="-1.477796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.469743" y3="-3.566562" z3="1.032381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.034695" y3="-2.964967" z3="-0.31628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.162402" y3="-4.804492" z3="1.662573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.66344" y3="-6.613677" z3="-0.145298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-4.463949" y3="-4.467246" z3="2.406312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-3.819985" y3="-4.832747" z3="-1.986326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-4.168529" y3="-3.4283" z3="3.502694">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.452052" y3="-2.228171" z3="2.867955">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.165115" y3="-1.741283" z3="-0.772523">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-5.908359" y3="-2.748892" z3="-2.421355">
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                           <atom elementType="C" id="a24" x3="-7.713404" y3="-8.146063" z3="-0.203029">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.261898" y3="-0.456948" z3="0.03341">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.032684" y3="-8.780921" z3="1.154738">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.846456" y3="0.523334" z3="3.39688">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.471264" y3="-6.672922" z3="1.217624">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-6.292031" y3="-3.899086" z3="2.001456">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-3.613399" y3="-4.881546" z3="4.701207">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-6.044152" y3="-3.421235" z3="-0.454761">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.019886" y3="-4.100534" z3="-1.762068">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-8.221792" y3="-6.324996" z3="-2.201704">
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                           <atom elementType="H" id="a34" x3="-5.107579" y3="-5.307117" z3="-0.389291">
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                           <atom elementType="H" id="a36" x3="-6.06962" y3="-5.963737" z3="-3.212598">
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                           <atom elementType="H" id="a37" x3="-8.176839" y3="-4.012473" z3="-0.642576">
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                           <atom elementType="H" id="a40" x3="-4.072167" y3="-2.652474" z3="-0.182139">
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                           <atom elementType="H" id="a58" x3="-7.875146" y3="-9.863839" z3="1.136466">
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                           <atom elementType="H" id="a59" x3="-2.700068" y3="1.24426" z3="4.20456">
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                           <atom elementType="H" id="a60" x3="-2.00411" y3="0.595949" z3="2.70812">
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                           <atom elementType="H" id="a61" x3="-3.781325" y3="0.755148" z3="2.883093">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5366,-1.2761,-2.5302;-2.92,-1.1086,4.2162;-2.3043,-2.6076,2.0975;-3.2972,-5.8575,.7261;-5.458,-3.9542,1.512;-3.3511,-3.9667,4.5288;-3.4257,-5.5941,-2.87;-6.1705,-3.8203,-1.3898;-2.9547,-3.9601,-1.3922;-7.4613,-5.9386,-1.5154;-5.2373,-5.0362,-1.4349;-6.0576,-6.116,-2.1295;-7.5992,-4.4084,-1.4778;-2.4697,-3.5666,1.0324;-3.0347,-2.965,-.3163;-3.1624,-4.8045,1.6626;-7.6634,-6.6137,-.1453;-4.4639,-4.4672,2.4063;-3.82,-4.8327,-1.9863;-4.1685,-3.4283,3.5027;-3.4521,-2.2282,2.868;-2.1651,-1.7413,-.7725;-5.9084,-2.7489,-2.4214;-7.7134,-8.1461,-.203;-2.2619,-.4569,.0334;-8.0327,-8.7809,1.1547;-2.8465,.5233,3.3969;-3.4713,-6.6729,1.2176;-6.292,-3.8991,2.0015;-3.6134,-4.8815,4.7012;-6.0442,-3.4212,-.4548;-2.0199,-4.1005,-1.7621;-8.2218,-6.325,-2.2017;-5.1076,-5.3071,-.3893;-5.6253,-7.1,-1.946;-6.0696,-5.9637,-3.2126;-8.1768,-4.0125,-.6426;-8.0282,-4.0389,-2.407;-1.4429,-3.8713,.8073;-4.0722,-2.6525,-.1821;-2.4634,-5.1053,2.4529;-6.8827,-6.3016,.5608;-8.6067,-6.2451,.2788;-4.8399,-5.3866,2.8792;-5.1194,-3.0618,3.9169;-4.177,-1.6912,2.2459;-1.1251,-2.0674,-.8469;-5.4038,-1.9087,-1.9521;-5.2803,-3.1568,-3.2115;-6.8543,-2.4128,-2.8381;-8.471,-8.45,-.9373;-6.7605,-8.541,-.5752;-2.1433,-.6815,1.0891;-1.4649,.2288,-.2628;-3.2227,.0382,-.1278;-7.3952,-8.3668,1.9441;-9.0739,-8.5994,1.442;-7.8751,-9.8638,1.1365;-2.7001,1.2443,4.2046;-2.0041,.5959,2.7081;-3.7813,.7551,2.8831;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2052626 0.1238679 0.0919821</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.858245" y3="-1.432192" z3="-2.58711">
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                           <atom elementType="O" id="a4" x3="-3.152054" y3="-5.849956" z3="0.769271">
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                           </atom>
                           <atom elementType="O" id="a5" x3="-5.314648" y3="-3.963711" z3="1.480549">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-3.230455" y3="-3.961608" z3="4.528579">
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                           <atom elementType="O" id="a7" x3="-3.387767" y3="-5.652875" z3="-2.75818">
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                           <atom elementType="N" id="a8" x3="-6.167888" y3="-3.849074" z3="-1.396302">
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                           <atom elementType="C" id="a16" x3="-3.029003" y3="-4.783643" z3="1.695924">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.755734" y3="-6.595911" z3="-0.200868">
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                           <atom elementType="C" id="a18" x3="-4.340025" y3="-4.461808" z3="2.408061">
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                           <atom elementType="C" id="a20" x3="-4.05505" y3="-3.423437" z3="3.506477">
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                           <atom elementType="C" id="a24" x3="-7.801864" y3="-8.129151" z3="-0.247716">
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                           <atom elementType="H" id="a31" x3="-6.086879" y3="-3.435073" z3="-0.461463">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.007365" y3="-4.117716" z3="-1.740315">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.188037" y3="-6.338432" z3="-2.289868">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.137488" y3="-5.334272" z3="-0.307482">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.624736" y3="-7.137867" z3="-1.861667">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.972215" y3="-6.00812" z3="-3.172851">
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                           <atom elementType="H" id="a37" x3="-8.204636" y3="-4.015703" z3="-0.738724">
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                           <atom elementType="H" id="a38" x3="-7.970807" y3="-4.042642" z3="-2.501005">
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                           <atom elementType="H" id="a39" x3="-1.348388" y3="-3.838941" z3="0.781937">
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                           <atom elementType="H" id="a40" x3="-4.051205" y3="-2.721747" z3="-0.110593">
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                           <atom elementType="H" id="a41" x3="-2.33094" y3="-5.059515" z3="2.49642">
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                           <atom elementType="H" id="a43" x3="-8.727043" y3="-6.222342" z3="0.149639">
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                           <atom elementType="H" id="a46" x3="-4.072831" y3="-1.665957" z3="2.284732">
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                           <atom elementType="H" id="a56" x3="-7.574967" y3="-8.355083" z3="1.913035">
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                           <atom elementType="H" id="a57" x3="-9.242755" y3="-8.51373" z3="1.34763">
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                           <atom elementType="H" id="a58" x3="-8.090729" y3="-9.831485" z3="1.087778">
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                           <atom elementType="H" id="a59" x3="-2.800448" y3="1.218634" z3="4.4494">
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                           <atom elementType="H" id="a60" x3="-2.100801" y3="0.757352" z3="2.888213">
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                           <atom elementType="H" id="a61" x3="-3.87588" y3="0.730883" z3="3.123704">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8582,-1.4322,-2.5871;-2.8066,-1.1409,4.2809;-2.1944,-2.576,2.1021;-3.1521,-5.85,.7693;-5.3146,-3.9637,1.4805;-3.2305,-3.9616,4.5286;-3.3878,-5.6529,-2.7582;-6.1679,-3.8491,-1.3963;-2.9249,-4.0131,-1.3191;-7.4653,-5.9456,-1.5673;-5.2333,-5.0741,-1.3641;-6.0283,-6.1516,-2.0904;-7.5954,-4.4146,-1.5495;-2.3694,-3.5426,1.0454;-3.0122,-2.9846,-.2848;-3.029,-4.7836,1.6959;-7.7557,-6.5959,-.2009;-4.34,-4.4618,2.4081;-3.7869,-4.9146,-1.8608;-4.055,-3.4234,3.5065;-3.3418,-2.211,2.8932;-2.2594,-1.7454,-.8604;-5.8682,-2.7761,-2.4211;-7.8019,-8.1292,-.2477;-2.3751,-.4274,-.1142;-8.2004,-8.7427,1.1005;-2.9062,.5503,3.5921;-3.309,-6.6623,1.2716;-6.1581,-3.9045,1.9534;-3.5454,-4.8476,4.7574;-6.0869,-3.4351,-.4615;-2.0074,-4.1177,-1.7403;-8.188,-6.3384,-2.2899;-5.1375,-5.3343,-.3075;-5.6247,-7.1379,-1.8617;-5.9722,-6.0081,-3.1729;-8.2046,-4.0157,-.7387;-7.9708,-4.0426,-2.501;-1.3484,-3.8389,.7819;-4.0512,-2.7217,-.1106;-2.3309,-5.0595,2.4964;-7.0158,-6.2758,.5455;-8.727,-6.2223,.1496;-4.7224,-5.3848,2.8692;-5.009,-3.0677,3.9236;-4.0728,-1.666,2.2847;-1.2086,-2.0159,-.9967;-5.3239,-1.9613,-1.9497;-5.2745,-3.1939,-3.229;-6.8049,-2.3974,-2.8232;-8.52,-8.4403,-1.0181;-6.825,-8.5248,-.5517;-2.0475,-.5655,.9103;-1.7307,.3171,-.5866;-3.403,-.0556,-.1234;-7.575,-8.3551,1.913;-9.2428,-8.5137,1.3476;-8.0907,-9.8315,1.0878;-2.8004,1.2186,4.4494;-2.1008,.7574,2.8882;-3.8759,.7309,3.1237;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2073864 0.1216399 0.0918905</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.613876" y3="-1.267534" z3="-2.511124">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-3.275908" y3="-5.847497" z3="0.639398">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.383327" y3="-3.92443" z3="1.442841">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-3.286505" y3="-4.059013" z3="4.471261">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.446862" y3="-5.527978" z3="-2.916493">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.194836" y3="-3.825742" z3="-1.501454">
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                           <atom elementType="N" id="a9" x3="-2.949296" y3="-3.955593" z3="-1.39525">
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                           <atom elementType="C" id="a12" x3="-6.020575" y3="-6.150856" z3="-2.088749">
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                           <atom elementType="C" id="a14" x3="-2.431374" y3="-3.581478" z3="1.00614">
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                           <atom elementType="C" id="a15" x3="-3.030542" y3="-2.968868" z3="-0.314774">
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                           <atom elementType="C" id="a16" x3="-3.122948" y3="-4.825893" z3="1.611387">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.693991" y3="-6.543647" z3="-0.13999">
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                           <atom elementType="C" id="a18" x3="-4.421044" y3="-4.484503" z3="2.345686">
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                           <atom elementType="C" id="a19" x3="-3.820906" y3="-4.82525" z3="-1.979189">
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                           <atom elementType="C" id="a20" x3="-4.108572" y3="-3.480563" z3="3.470398">
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                           <atom elementType="C" id="a21" x3="-3.378126" y3="-2.26775" z3="2.882336">
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                           <atom elementType="C" id="a22" x3="-2.194239" y3="-1.732748" z3="-0.764008">
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                           <atom elementType="C" id="a23" x3="-5.90351" y3="-2.836867" z3="-2.604809">
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                           <atom elementType="C" id="a24" x3="-7.691255" y3="-8.076741" z3="-0.093479">
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                           <atom elementType="C" id="a25" x3="-2.326179" y3="-0.472075" z3="0.066868">
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                           <atom elementType="C" id="a26" x3="-8.037035" y3="-8.62558" z3="1.294188">
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                           <atom elementType="H" id="a33" x3="-8.176321" y3="-6.403613" z3="-2.230881">
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                           </atom>
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                           <atom elementType="H" id="a48" x3="-5.312834" y3="-2.013962" z3="-2.212107">
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                           <atom elementType="H" id="a50" x3="-6.842363" y3="-2.453365" z3="-2.996584">
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                           <atom elementType="H" id="a52" x3="-6.711278" y3="-8.461299" z3="-0.401835">
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                           <atom elementType="H" id="a54" x3="-1.684342" y3="0.309119" z3="-0.345773">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a56" x3="-7.373762" y3="-8.208976" z3="2.060768">
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                           <atom elementType="H" id="a58" x3="-7.938332" y3="-9.715059" z3="1.325905">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a59" x3="-2.844054" y3="1.136144" z3="4.474526">
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                           <atom elementType="H" id="a60" x3="-2.109288" y3="0.703846" z3="2.920492">
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                           <atom elementType="H" id="a61" x3="-3.887601" y3="0.643364" z3="3.12624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6139,-1.2675,-2.5111;-2.8107,-1.2233,4.2785;-2.2437,-2.637,2.0803;-3.2759,-5.8475,.6394;-5.3833,-3.9244,1.4428;-3.2865,-4.059,4.4713;-3.4469,-5.528,-2.9165;-6.1948,-3.8257,-1.5015;-2.9493,-3.9556,-1.3953;-7.4498,-5.9588,-1.5435;-5.2388,-5.0249,-1.4251;-6.0206,-6.1509,-2.0887;-7.613,-4.4324,-1.6014;-2.4314,-3.5815,1.0061;-3.0305,-2.9689,-.3148;-3.1229,-4.8259,1.6114;-7.694,-6.5436,-.14;-4.421,-4.4845,2.3457;-3.8209,-4.8252,-1.9792;-4.1086,-3.4806,3.4704;-3.3781,-2.2677,2.8823;-2.1942,-1.7327,-.764;-5.9035,-2.8369,-2.6048;-7.6913,-8.0767,-.0935;-2.3262,-.4721,.0669;-8.037,-8.6256,1.2942;-2.9229,.475,3.6087;-3.4439,-6.6791,1.1044;-6.2235,-3.834,1.9161;-3.6691,-4.9055,4.7423;-6.1219,-3.3548,-.5952;-2.0319,-4.0426,-1.8202;-8.1763,-6.4036,-2.2309;-5.1283,-5.2368,-.3623;-5.5851,-7.1181,-1.8355;-5.9919,-6.0541,-3.1779;-8.217,-4.003,-.802;-8.0171,-4.1152,-2.561;-1.4118,-3.8864,.7488;-4.0654,-2.6633,-.1536;-2.4311,-5.1463,2.4001;-6.9563,-6.1522,.5732;-8.669,-6.1807,.2114;-4.8234,-5.4093,2.7849;-5.0525,-3.1132,3.8994;-4.0995,-1.6901,2.2935;-1.1463,-2.0335,-.8389;-5.3128,-2.014,-2.2121;-5.3494,-3.3361,-3.3993;-6.8424,-2.4534,-2.9966;-8.4127,-8.4574,-.8287;-6.7113,-8.4613,-.4018;-2.0056,-.6837,1.0839;-1.6843,.3091,-.3458;-3.3577,-.1099,.0756;-7.3738,-8.209,2.0608;-9.0658,-8.3741,1.5741;-7.9383,-9.7151,1.3259;-2.8441,1.1361,4.4745;-2.1093,.7038,2.9205;-3.8876,.6434,3.1262;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2046489 0.1248071 0.0922870</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.574246" y3="-1.266808" z3="-2.453307">
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                           <atom elementType="O" id="a4" x3="-3.297488" y3="-5.89104" z3="0.68753">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.410055" y3="-3.936843" z3="1.446995">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-3.330963" y3="-4.060942" z3="4.48758">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.468225" y3="-5.438468" z3="-2.986497">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.201422" y3="-3.812687" z3="-1.503135">
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                           <atom elementType="C" id="a11" x3="-5.233991" y3="-5.004191" z3="-1.43743">
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                           <atom elementType="C" id="a13" x3="-7.616013" y3="-4.427296" z3="-1.592311">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-2.44134" y3="-3.623291" z3="1.037078">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.028131" y3="-2.984774" z3="-0.282375">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.154362" y3="-4.854765" z3="1.646238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.678666" y3="-6.549443" z3="-0.149003">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-4.458924" y3="-4.494961" z3="2.365975">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.827599" y3="-4.774237" z3="-2.014499">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-4.147027" y3="-3.481487" z3="3.481663">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.396708" y3="-2.287922" z3="2.885234">
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                           <atom elementType="C" id="a23" x3="-5.927407" y3="-2.816702" z3="-2.60508">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.649776" y3="-8.083166" z3="-0.107312">
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                           <atom elementType="C" id="a25" x3="-2.383979" y3="-0.465066" z3="0.126179">
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                           <atom elementType="C" id="a26" x3="-7.978525" y3="-8.639592" z3="1.2820">
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                           <atom elementType="H" id="a33" x3="-8.165608" y3="-6.401786" z3="-2.239164">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.11651" y3="-5.204484" z3="-0.376179">
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                           <atom elementType="H" id="a35" x3="-5.567641" y3="-7.10164" z3="-1.8509">
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
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                        </property>
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                  </module>
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                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.661595" y3="-1.182855" z3="-2.39559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.714853" y3="-1.347366" z3="4.320139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.211072" y3="-2.728225" z3="2.089229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.346771" y3="-5.872265" z3="0.580367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.380265" y3="-3.88735" z3="1.411358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.272471" y3="-4.202456" z3="4.421971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.508247" y3="-5.261095" z3="-3.119921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.240493" y3="-3.825423" z3="-1.670245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-2.93231" y3="-3.910333" z3="-1.415503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.381745" y3="-6.016878" z3="-1.59702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.214508" y3="-4.955098" z3="-1.461448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.914179" y3="-6.178965" z3="-2.037659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.617068" y3="-4.506354" z3="-1.774178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.438171" y3="-3.646465" z3="1.002197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.046291" y3="-2.980952" z3="-0.288653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.163679" y3="-4.880022" z3="1.58154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.692557" y3="-6.495507" z3="-0.164241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-4.453277" y3="-4.508352" z3="2.315422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.828772" y3="-4.691928" z3="-2.076719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-4.09493" y3="-3.545466" z3="3.46488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.332143" y3="-2.339617" z3="2.908156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.259904" y3="-1.685621" z3="-0.65701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-5.976306" y3="-2.941604" z3="-2.85175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.600419" y3="-8.014136" z3="0.030114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.502409" y3="-0.474121" z3="0.230671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-7.976048" y3="-8.449669" z3="1.449945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-2.763697" y3="0.365816" z3="3.675275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-3.510222" y3="-6.714832" z3="1.026344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-6.212431" y3="-3.739578" z3="1.883542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-3.845384" y3="-4.699732" z3="5.022242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.225245" y3="-3.249039" z3="-0.825355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.049291" y3="-3.881247" z3="-1.913472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.039704" y3="-6.554361" z3="-2.287119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.110111" y3="-5.046148" z3="-0.385726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.449647" y3="-7.093842" z3="-1.66692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-5.823211" y3="-6.182454" z3="-3.127035">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.26536" y3="-4.064914" z3="-1.01724">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-8.00525" y3="-4.264371" z3="-2.762928">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.432979" y3="-3.974157" z3="0.716047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a40" x3="-4.091962" y3="-2.71846" z3="-0.120395">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a41" x3="-2.491558" y3="-5.249797" z3="2.364122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-7.034554" y3="-5.988719" z3="0.553858">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-8.713915" y3="-6.174878" z3="0.079069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a44" x3="-4.894152" y3="-5.423859" z3="2.732782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-5.015134" y3="-3.170337" z3="3.931291">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a46" x3="-4.026805" y3="-1.722386" z3="2.329681">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="-1.193337" y3="-1.920607" z3="-0.695628">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.014558" y3="-2.447355" z3="-2.729191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a49" x3="-5.96864" y3="-3.565091" z3="-3.74688">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-6.776016" y3="-2.204122" z3="-2.90746">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.261241" y3="-8.50928" z3="-0.693411">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-6.583698" y3="-8.36056" z3="-0.191511">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.036407" y3="-0.648511" z3="1.19917">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a54" x3="-2.055217" y3="0.414005" z3="-0.217976">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.570914" y3="-0.286744" z3="0.368712">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-7.26904" y3="-8.050243" z3="2.185399">
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                           </atom>
                           <atom elementType="H" id="a57" x3="-8.975691" y3="-8.092136" z3="1.721591">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-7.974808" y3="-9.540232" z3="1.542671">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.62392" y3="1.011616" z3="4.544616">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a60" x3="-1.966138" y3="0.561704" z3="2.958194">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-3.735438" y3="0.587639" z3="3.230019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6616,-1.1829,-2.3956;-2.7149,-1.3474,4.3201;-2.2111,-2.7282,2.0892;-3.3468,-5.8723,.5804;-5.3803,-3.8874,1.4114;-3.2725,-4.2025,4.422;-3.5082,-5.2611,-3.1199;-6.2405,-3.8254,-1.6702;-2.9323,-3.9103,-1.4155;-7.3817,-6.0169,-1.597;-5.2145,-4.9551,-1.4614;-5.9142,-6.179,-2.0377;-7.6171,-4.5064,-1.7742;-2.4382,-3.6465,1.0022;-3.0463,-2.981,-.2887;-3.1637,-4.88,1.5815;-7.6926,-6.4955,-.1642;-4.4533,-4.5084,2.3154;-3.8288,-4.6919,-2.0767;-4.0949,-3.5455,3.4649;-3.3321,-2.3396,2.9082;-2.2599,-1.6856,-.657;-5.9763,-2.9416,-2.8518;-7.6004,-8.0141,.0301;-2.5024,-.4741,.2307;-7.976,-8.4497,1.4499;-2.7637,.3658,3.6753;-3.5102,-6.7148,1.0263;-6.2124,-3.7396,1.8835;-3.8454,-4.6997,5.0222;-6.2252,-3.249,-.8254;-2.0493,-3.8812,-1.9135;-8.0397,-6.5544,-2.2871;-5.1101,-5.0461,-.3857;-5.4496,-7.0938,-1.6669;-5.8232,-6.1825,-3.127;-8.2654,-4.0649,-1.0172;-8.0053,-4.2644,-2.7629;-1.433,-3.9742,.716;-4.092,-2.7185,-.1204;-2.4916,-5.2498,2.3641;-7.0346,-5.9887,.5539;-8.7139,-6.1749,.0791;-4.8942,-5.4239,2.7328;-5.0151,-3.1703,3.9313;-4.0268,-1.7224,2.3297;-1.1933,-1.9206,-.6956;-5.0146,-2.4474,-2.7292;-5.9686,-3.5651,-3.7469;-6.776,-2.2041,-2.9075;-8.2612,-8.5093,-.6934;-6.5837,-8.3606,-.1915;-2.0364,-.6485,1.1992;-2.0552,.414,-.218;-3.5709,-.2867,.3687;-7.269,-8.0502,2.1854;-8.9757,-8.0921,1.7216;-7.9748,-9.5402,1.5427;-2.6239,1.0116,4.5446;-1.9661,.5617,2.9582;-3.7354,.5876,3.23;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2049648 0.1266815 0.0924025</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.633064" y3="-1.241747" z3="-2.459544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.706586" y3="-1.302656" z3="4.30252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.193615" y3="-2.690904" z3="2.084828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.265449" y3="-5.882901" z3="0.633296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.350276" y3="-3.926739" z3="1.450368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.225432" y3="-4.158987" z3="4.453507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.516545" y3="-5.309717" z3="-3.08603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.242138" y3="-3.821097" z3="-1.621139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-2.925069" y3="-3.939902" z3="-1.402253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.403211" y3="-6.005193" z3="-1.595098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.223838" y3="-4.966657" z3="-1.444901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.937241" y3="-6.175096" z3="-2.037165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.623833" y3="-4.489623" z3="-1.739501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.405656" y3="-3.621783" z3="1.005701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.018804" y3="-2.979766" z3="-0.298161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.104476" y3="-4.862845" z3="1.608797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.721264" y3="-6.517277" z3="-0.176599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-4.398114" y3="-4.513115" z3="2.349925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-3.831701" y3="-4.720546" z3="-2.053104">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-4.055648" y3="-3.527926" z3="3.484412">
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                           <atom elementType="C" id="a21" x3="-3.316906" y3="-2.316693" z3="2.905351">
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                           <atom elementType="C" id="a25" x3="-2.416147" y3="-0.465614" z3="0.139733">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.052236" y3="-8.513713" z3="1.375098">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.886022" y3="0.407795" z3="3.675858">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.413826" y3="-6.716863" z3="1.100609">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-6.184648" y3="-3.80945" z3="1.927267">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-3.786806" y3="-4.673102" z3="5.049335">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-6.227399" y3="-3.273441" z3="-0.756879">
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                           <atom elementType="H" id="a32" x3="-2.036181" y3="-3.953117" z3="-1.890943">
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                           <atom elementType="H" id="a33" x3="-8.06571" y3="-6.517629" z3="-2.299853">
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                           <atom elementType="H" id="a34" x3="-5.118089" y3="-5.079246" z3="-0.371172">
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                           <atom elementType="H" id="a40" x3="-4.059861" y3="-2.702859" z3="-0.13024">
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                           <atom elementType="H" id="a61" x3="-3.887211" y3="0.578672" z3="3.275532">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6331,-1.2417,-2.4595;-2.7066,-1.3027,4.3025;-2.1936,-2.6909,2.0848;-3.2654,-5.8829,.6333;-5.3503,-3.9267,1.4504;-3.2254,-4.159,4.4535;-3.5165,-5.3097,-3.086;-6.2421,-3.8211,-1.6211;-2.9251,-3.9399,-1.4023;-7.4032,-6.0052,-1.5951;-5.2238,-4.9667,-1.4449;-5.9372,-6.1751,-2.0372;-7.6238,-4.4896,-1.7395;-2.4057,-3.6218,1.0057;-3.0188,-2.9798,-.2982;-3.1045,-4.8628,1.6088;-7.7213,-6.5173,-.1766;-4.3981,-4.5131,2.3499;-3.8317,-4.7205,-2.0531;-4.0556,-3.5279,3.4844;-3.3169,-2.3167,2.9054;-2.2156,-1.7081,-.7145;-5.9855,-2.8931,-2.7714;-7.6647,-8.0427,-.0307;-2.4161,-.4656,.1397;-8.0522,-8.5137,1.3751;-2.886,.4078,3.6759;-3.4138,-6.7169,1.1006;-6.1846,-3.8095,1.9273;-3.7868,-4.6731,5.0493;-6.2274,-3.2734,-.7569;-2.0362,-3.9531,-1.8909;-8.0657,-6.5176,-2.2999;-5.1181,-5.0792,-.3712;-5.4826,-7.0986,-1.6747;-5.8432,-6.1697,-3.1263;-8.2713,-4.0578,-.9762;-8.01,-4.2246,-2.7229;-1.3932,-3.933,.7276;-4.0599,-2.7029,-.1302;-2.4176,-5.2001,2.3937;-7.0484,-6.0507,.5551;-8.733,-6.1783,.0823;-4.8115,-5.433,2.7855;-4.9825,-3.1631,3.9446;-4.0279,-1.7177,2.3273;-1.1549,-1.9646,-.7734;-5.038,-2.3796,-2.6223;-5.9565,-3.48,-3.6891;-6.7992,-2.1699,-2.8082;-8.3362,-8.4984,-.7702;-6.657,-8.4064,-.2662;-1.9873,-.6394,1.1246;-1.9084,.3869,-.3146;-3.4761,-.2182,.2422;-7.3627,-8.1179,2.1289;-9.0613,-8.179,1.6407;-8.0336,-9.6057,1.4467;-2.7432,1.0517,4.5463;-2.1318,.6553,2.9282;-3.8872,.5787,3.2755;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2032377 0.1249897 0.0917374</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-3.324821" y3="-5.880244" z3="0.603728">
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                           <atom elementType="O" id="a5" x3="-5.389094" y3="-3.913774" z3="1.428734">
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                           <atom elementType="O" id="a6" x3="-3.266833" y3="-4.19481" z3="4.429116">
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                           <atom elementType="O" id="a7" x3="-3.486265" y3="-5.300094" z3="-3.102138">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.246667" y3="-3.821647" z3="-1.684881">
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                           <atom elementType="C" id="a18" x3="-4.446105" y3="-4.516107" z3="2.327087">
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                           </atom>
                           <atom elementType="H" id="a31" x3="-6.237867" y3="-3.257923" z3="-0.830792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.022943" y3="-3.941612" z3="-1.883512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-8.042573" y3="-6.558439" z3="-2.276707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.115136" y3="-5.033953" z3="-0.401037">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.44921" y3="-7.091018" z3="-1.65192">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.825922" y3="-6.206689" z3="-3.128079">
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                           <atom elementType="H" id="a37" x3="-8.274658" y3="-4.061803" z3="-1.033828">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-8.011803" y3="-4.281288" z3="-2.773726">
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                           <atom elementType="H" id="a39" x3="-1.424083" y3="-3.953856" z3="0.726468">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.085834" y3="-2.72746" z3="-0.142626">
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                           <atom elementType="H" id="a41" x3="-2.473791" y3="-5.228012" z3="2.371221">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-6.99998" y3="-6.003725" z3="0.555831">
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                           <atom elementType="H" id="a43" x3="-8.690142" y3="-6.148381" z3="0.107583">
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                           <atom elementType="H" id="a46" x3="-4.049409" y3="-1.730451" z3="2.333347">
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                           <atom elementType="H" id="a56" x3="-7.306434" y3="-8.004034" z3="2.187279">
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                           <atom elementType="H" id="a57" x3="-9.002527" y3="-8.140854" z3="1.705195">
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                           <atom elementType="H" id="a58" x3="-7.925372" y3="-9.536381" z3="1.556355">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a59" x3="-2.678721" y3="1.008123" z3="4.570325">
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                           <atom elementType="H" id="a60" x3="-2.010451" y3="0.583009" z3="2.984038">
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                           <atom elementType="H" id="a61" x3="-3.782137" y3="0.587055" z3="3.245739">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7524,-1.1373,-2.3994;-2.7408,-1.3459,4.3253;-2.2186,-2.7161,2.0926;-3.3248,-5.8802,.6037;-5.3891,-3.9138,1.4287;-3.2668,-4.1948,4.4291;-3.4863,-5.3001,-3.1021;-6.2467,-3.8216,-1.6849;-2.9222,-3.926,-1.4142;-7.3814,-6.0172,-1.5922;-5.2165,-4.9513,-1.4789;-5.9161,-6.1838,-2.0391;-7.6214,-4.5095,-1.7829;-2.4346,-3.6324,1.0006;-3.0377,-2.9774,-.3026;-3.1536,-4.8715,1.5881;-7.6806,-6.4904,-.156;-4.4461,-4.5161,2.3271;-3.8186,-4.7065,-2.0771;-4.0968,-3.5475,3.4719;-3.3444,-2.3391,2.9093;-2.2576,-1.6829,-.6983;-6.0032,-2.9067,-2.8509;-7.6138,-8.0117,.027;-2.4248,-.4781,.2094;-7.9827,-8.4487,1.4485;-2.8103,.3705,3.6935;-3.4966,-6.7133,1.0651;-6.2287,-3.8051,1.8983;-3.8295,-4.7226,5.0111;-6.2379,-3.2579,-.8308;-2.0229,-3.9416,-1.8835;-8.0426,-6.5584,-2.2767;-5.1151,-5.034,-.401;-5.4492,-7.091,-1.6519;-5.8259,-6.2067,-3.1281;-8.2747,-4.0618,-1.0338;-8.0118,-4.2813,-2.7737;-1.4241,-3.9539,.7265;-4.0858,-2.7275,-.1426;-2.4738,-5.228,2.3712;-7,-6.0037,.5558;-8.6901,-6.1484,.1076;-4.8691,-5.4357,2.7544;-5.0201,-3.1783,3.9362;-4.0494,-1.7305,2.3333;-1.1987,-1.9288,-.8125;-5.0797,-2.3525,-2.6955;-5.9355,-3.5063,-3.757;-6.8413,-2.2143,-2.919;-8.2923,-8.4888,-.6925;-6.6072,-8.3765,-.2122;-1.9943,-.708,1.1804;-1.8975,.3808,-.2105;-3.4789,-.2121,.3289;-7.3064,-8.004,2.1873;-9.0025,-8.1409,1.7052;-7.9254,-9.5364,1.5564;-2.6787,1.0081,4.5703;-2.0105,.583,2.984;-3.7821,.5871,3.2457;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2034539 0.1264336 0.0922894</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.748202" y3="-1.157893" z3="-2.406765">
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                           <atom elementType="S" id="a2" x3="-2.724349" y3="-1.370564" z3="4.343641">
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                           <atom elementType="O" id="a3" x3="-2.213831" y3="-2.723333" z3="2.100591">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-3.311779" y3="-5.883185" z3="0.598221">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a5" x3="-5.375372" y3="-3.9166" z3="1.434136">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-3.255258" y3="-4.215283" z3="4.432362">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.505553" y3="-5.256519" z3="-3.124048">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.259288" y3="-3.818742" z3="-1.708375">
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                           <atom elementType="N" id="a9" x3="-2.929988" y3="-3.912977" z3="-1.414009">
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                           <atom elementType="C" id="a10" x3="-7.375681" y3="-6.024463" z3="-1.595624">
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                           <atom elementType="C" id="a11" x3="-5.222753" y3="-4.935795" z3="-1.482574">
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                           <atom elementType="C" id="a12" x3="-5.90544" y3="-6.183661" z3="-2.02817">
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                           <atom elementType="C" id="a13" x3="-7.626224" y3="-4.52311" z3="-1.816104">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-2.430566" y3="-3.631551" z3="1.001595">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.041809" y3="-2.971912" z3="-0.295088">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.14177" y3="-4.87772" z3="1.585433">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.681317" y3="-6.479005" z3="-0.155779">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-4.434326" y3="-4.527012" z3="2.327677">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.828712" y3="-4.685644" z3="-2.083512">
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                           <atom elementType="C" id="a20" x3="-4.086564" y3="-3.565023" z3="3.47915">
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                           <atom elementType="C" id="a21" x3="-3.335546" y3="-2.353033" z3="2.923114">
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                           <atom elementType="C" id="a22" x3="-2.264201" y3="-1.680609" z3="-0.693762">
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                           <atom elementType="C" id="a23" x3="-6.007383" y3="-2.920107" z3="-2.882317">
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                           <atom elementType="C" id="a24" x3="-7.615423" y3="-7.997592" z3="0.04579">
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                           <atom elementType="C" id="a25" x3="-2.442312" y3="-0.465683" z3="0.195158">
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                           <atom elementType="C" id="a26" x3="-7.990668" y3="-8.419181" z3="1.469285">
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                           <atom elementType="H" id="a33" x3="-8.025988" y3="-6.581677" z3="-2.277741">
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                           <atom elementType="H" id="a34" x3="-5.128272" y3="-5.005928" z3="-0.403599">
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                           <atom elementType="H" id="a35" x3="-5.430882" y3="-7.079268" z3="-1.622301">
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                           <atom elementType="H" id="a37" x3="-8.297535" y3="-4.065968" z3="-1.088785">
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                           <atom elementType="H" id="a44" x3="-4.856638" y3="-5.449632" z3="2.749059">
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                           <atom elementType="H" id="a47" x3="-1.20404" y3="-1.923085" z3="-0.802298">
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                           <atom elementType="H" id="a48" x3="-5.089542" y3="-2.358152" z3="-2.720333">
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                           <atom elementType="H" id="a49" x3="-5.923113" y3="-3.533143" z3="-3.778036">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a50" x3="-6.848715" y3="-2.234086" z3="-2.971955">
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                           <atom elementType="H" id="a55" x3="-3.49824" y3="-0.201174" z3="0.300734">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a56" x3="-7.326633" y3="-7.954956" z3="2.207219">
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                           <atom elementType="H" id="a57" x3="-9.016598" y3="-8.12104" z3="1.71268">
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                           </atom>
                           <atom elementType="H" id="a58" x3="-7.919789" y3="-9.504296" z3="1.593286">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.674585" y3="0.981552" z3="4.605185">
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                           <atom elementType="H" id="a60" x3="-2.009032" y3="0.572433" z3="3.013748">
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                           <atom elementType="H" id="a61" x3="-3.779937" y3="0.563714" z3="3.280966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7482,-1.1579,-2.4068;-2.7243,-1.3706,4.3436;-2.2138,-2.7233,2.1006;-3.3118,-5.8832,.5982;-5.3754,-3.9166,1.4341;-3.2553,-4.2153,4.4324;-3.5056,-5.2565,-3.124;-6.2593,-3.8187,-1.7084;-2.93,-3.913,-1.414;-7.3757,-6.0245,-1.5956;-5.2228,-4.9358,-1.4826;-5.9054,-6.1837,-2.0282;-7.6262,-4.5231,-1.8161;-2.4306,-3.6316,1.0016;-3.0418,-2.9719,-.2951;-3.1418,-4.8777,1.5854;-7.6813,-6.479,-.1558;-4.4343,-4.527,2.3277;-3.8287,-4.6856,-2.0835;-4.0866,-3.565,3.4792;-3.3355,-2.353,2.9231;-2.2642,-1.6806,-.6938;-6.0074,-2.9201,-2.8823;-7.6154,-7.9976,.0458;-2.4423,-.4657,.1952;-7.9907,-8.4192,1.4693;-2.8055,.3495,3.7241;-3.4868,-6.7172,1.0565;-6.2189,-3.8194,1.899;-3.819,-4.7342,5.0211;-6.2693,-3.2465,-.8606;-2.0292,-3.9306,-1.8804;-8.026,-6.5817,-2.2777;-5.1283,-5.0059,-.4036;-5.4309,-7.0793,-1.6223;-5.8055,-6.2266,-3.1158;-8.2975,-4.066,-1.0888;-8.0021,-4.3167,-2.8174;-1.4188,-3.9439,.7226;-4.0892,-2.7217,-.1289;-2.4585,-5.231,2.3672;-7.0045,-5.9838,.5537;-8.691,-6.1324,.1016;-4.8566,-5.4496,2.7491;-5.0109,-3.1986,3.9432;-4.0434,-1.7379,2.3576;-1.204,-1.9231,-.8023;-5.0895,-2.3582,-2.7203;-5.9231,-3.5331,-3.778;-6.8487,-2.2341,-2.972;-8.2898,-8.4837,-.6718;-6.6086,-8.3663,-.187;-2.019,-.681,1.1731;-1.9123,.3876,-.2332;-3.4982,-.2012,.3007;-7.3266,-7.955,2.2072;-9.0166,-8.121,1.7127;-7.9198,-9.5043,1.5933;-2.6746,.9816,4.6052;-2.009,.5724,3.0137;-3.7799,.5637,3.281;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2028007 0.1266178 0.0921236</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-2.969748" y3="-1.038204" z3="-2.326296">
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                           <atom elementType="S" id="a2" x3="-2.664324" y3="-1.511354" z3="4.433092">
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                           <atom elementType="O" id="a3" x3="-2.194415" y3="-2.753717" z3="2.123402">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-3.285842" y3="-5.862971" z3="0.51468">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.338983" y3="-3.947564" z3="1.451055">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-3.191439" y3="-4.341478" z3="4.414095">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.537444" y3="-5.108454" z3="-3.17566">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.336665" y3="-3.840541" z3="-1.893877">
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                           <atom elementType="C" id="a12" x3="-5.81753" y3="-6.203267" z3="-1.937251">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-7.641033" y3="-4.653647" z3="-2.044083">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-2.422624" y3="-3.611395" z3="0.985317">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.078594" y3="-2.921278" z3="-0.272609">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.103871" y3="-4.894236" z3="1.53416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.698176" y3="-6.409395" z3="-0.162973">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-4.388209" y3="-4.584183" z3="2.310652">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.859226" y3="-4.579987" z3="-2.112985">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-4.037999" y3="-3.663733" z3="3.495086">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.299898" y3="-2.42726" z3="2.979097">
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                           <atom elementType="C" id="a22" x3="-2.353739" y3="-1.60623" z3="-0.666229">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.058707" y3="-3.012517" z3="-3.107898">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.60146" y3="-7.899064" z3="0.187178">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.484306" y3="-0.420051" z3="0.25963">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.045504" y3="-8.199434" z3="1.619599">
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                           <atom elementType="C" id="a27" x3="-2.719878" y3="0.230073" z3="3.876554">
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                           <atom elementType="H" id="a29" x3="-6.196802" y3="-3.920922" z3="1.897868">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.048971" y3="-3.86165" z3="-1.861838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.889093" y3="-6.766016" z3="-2.275846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.197469" y3="-4.808361" z3="-0.428819">
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                           <atom elementType="H" id="a37" x3="-8.414463" y3="-4.160933" z3="-1.454227">
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                           <atom elementType="H" id="a44" x3="-4.793878" y3="-5.526433" z3="2.704501">
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                           <atom elementType="H" id="a45" x3="-4.961828" y3="-3.320544" z3="3.976597">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-1.924593" y3="0.466111" z3="3.168449">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
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                        </property>
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                  </module>
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                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.34207" y3="-0.892791" z3="-2.145625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.537598" y3="-1.651945" z3="4.521987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.138263" y3="-2.77872" z3="2.139034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.249304" y3="-5.810152" z3="0.390866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.277378" y3="-4.032632" z3="1.568379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.972107" y3="-4.519965" z3="4.388623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.574293" y3="-4.954829" z3="-3.189259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.421795" y3="-3.907298" z3="-2.18135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.023459" y3="-3.714253" z3="-1.399615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.268771" y3="-6.172024" z3="-1.665773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.301936" y3="-4.748409" z3="-1.534378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.731988" y3="-6.191441" z3="-1.8047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.63374" y3="-4.849292" z3="-2.351051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.398161" y3="-3.579803" z3="0.967656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.144859" y3="-2.856245" z3="-0.214038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.018892" y3="-4.912429" z3="1.467198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.776705" y3="-6.305324" z3="-0.218491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-4.263683" y3="-4.684696" z3="2.335688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.909059" y3="-4.453151" z3="-2.115879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.879208" y3="-3.815351" z3="3.546756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.209336" y3="-2.526127" z3="3.059171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.512091" y3="-1.498381" z3="-0.58955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.085093" y3="-3.217229" z3="-3.467376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.630193" y3="-7.725931" z3="0.346359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.57824" y3="-0.367103" z3="0.417729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.1776" y3="-7.858224" z3="1.770095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a27" x3="-2.64014" y3="0.104422" z3="4.022574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-3.440686" y3="-6.67721" z3="0.77673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="-6.119127" y3="-4.080756" z3="2.042029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-3.485119" y3="-5.005674" z3="5.048406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.682201" y3="-3.177509" z3="-1.516252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.10594" y3="-3.732722" z3="-1.833826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.709019" y3="-6.98193" z3="-2.257792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.354838" y3="-4.534074" z3="-0.471018">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.240447" y3="-6.858547" z3="-1.095453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.426037" y3="-6.482524" z3="-2.812328">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.513986" y3="-4.342853" z3="-1.954076">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.394096" y3="-3.802533" z3="0.592429">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.195117" y3="-2.714232" z3="0.033674">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a41" x3="-2.260511" y3="-5.319388" z3="2.147358">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-7.250239" y3="-5.601803" z3="0.437982">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a43" x3="-8.835855" y3="-6.018123" z3="-0.187732">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-4.618049" y3="-5.659326" z3="2.700167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-4.788309" y3="-3.532913" z3="4.091165">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-3.970303" y3="-1.88621" z3="2.596608">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="-1.477625" y3="-1.65901" z3="-0.907001">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a48" x3="-5.304024" y3="-2.483789" z3="-3.271991">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.742708" y3="-3.962066" z3="-4.180968">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-6.986715" y3="-2.722371" z3="-3.82829">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.154703" y3="-8.428964" z3="-0.315072">
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                           <atom elementType="H" id="a52" x3="-6.575163" y3="-8.026931" z3="0.332405">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-1.988636" y3="-0.637766" z3="1.293036">
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                           <atom elementType="H" id="a54" x3="-2.153367" y3="0.537352" z3="-0.022688">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a55" x3="-3.608538" y3="-0.160612" z3="0.719088">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-7.691324" y3="-7.147348" z3="2.448851">
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.254508" y3="-7.659472" z3="1.799234">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.011048" y3="-8.863993" z3="2.168735">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.46098" y3="0.683223" z3="4.931559">
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                           <atom elementType="H" id="a60" x3="-1.88033" y3="0.369478" z3="3.2859">
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                           </atom>
                           <atom elementType="H" id="a61" x3="-3.633943" y3="0.348912" z3="3.642523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3421,-.8928,-2.1456;-2.5376,-1.6519,4.522;-2.1383,-2.7787,2.139;-3.2493,-5.8102,.3909;-5.2774,-4.0326,1.5684;-2.9721,-4.52,4.3886;-3.5743,-4.9548,-3.1893;-6.4218,-3.9073,-2.1814;-3.0235,-3.7143,-1.3996;-7.2688,-6.172,-1.6658;-5.3019,-4.7484,-1.5344;-5.732,-6.1914,-1.8047;-7.6337,-4.8493,-2.3511;-2.3982,-3.5798,.9677;-3.1449,-2.8562,-.214;-3.0189,-4.9124,1.4672;-7.7767,-6.3053,-.2185;-4.2637,-4.6847,2.3357;-3.9091,-4.4532,-2.1159;-3.8792,-3.8154,3.5468;-3.2093,-2.5261,3.0592;-2.5121,-1.4984,-.5896;-6.0851,-3.2172,-3.4674;-7.6302,-7.7259,.3464;-2.5782,-.3671,.4177;-8.1776,-7.8582,1.7701;-2.6401,.1044,4.0226;-3.4407,-6.6772,.7767;-6.1191,-4.0808,2.042;-3.4851,-5.0057,5.0484;-6.6822,-3.1775,-1.5163;-2.1059,-3.7327,-1.8338;-7.709,-6.9819,-2.2578;-5.3548,-4.5341,-.471;-5.2404,-6.8585,-1.0955;-5.426,-6.4825,-2.8123;-8.514,-4.3429,-1.9541;-7.7567,-4.9843,-3.426;-1.3941,-3.8025,.5924;-4.1951,-2.7142,.0337;-2.2605,-5.3194,2.1474;-7.2502,-5.6018,.438;-8.8359,-6.0181,-.1877;-4.618,-5.6593,2.7002;-4.7883,-3.5329,4.0912;-3.9703,-1.8862,2.5966;-1.4776,-1.659,-.907;-5.304,-2.4838,-3.272;-5.7427,-3.9621,-4.181;-6.9867,-2.7224,-3.8283;-8.1547,-8.429,-.3151;-6.5752,-8.0269,.3324;-1.9886,-.6378,1.293;-2.1534,.5374,-.0227;-3.6085,-.1606,.7191;-7.6913,-7.1473,2.4489;-9.2545,-7.6595,1.7992;-8.011,-8.864,2.1687;-2.461,.6832,4.9316;-1.8803,.3695,3.2859;-3.6339,.3489,3.6425;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2035648 0.1253610 0.0906735</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.556906" y3="-0.781532" z3="-2.021168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.503601" y3="-1.754673" z3="4.534457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.118969" y3="-2.792676" z3="2.107175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.157535" y3="-5.809225" z3="0.284226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.215973" y3="-4.201203" z3="1.613234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.761486" y3="-4.654019" z3="4.316165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.55325" y3="-4.927184" z3="-3.206236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.41787" y3="-3.964724" z3="-2.359221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.038539" y3="-3.648775" z3="-1.425248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.227509" y3="-6.187134" z3="-1.658372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.299049" y3="-4.703713" z3="-1.574917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.687408" y3="-6.178747" z3="-1.724556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.588429" y3="-4.956109" z3="-2.498027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.377403" y3="-3.572717" z3="0.924559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.186783" y3="-2.840543" z3="-0.209903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.920905" y3="-4.94756" z3="1.390326">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.80249" y3="-6.166908" z3="-0.227769">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-4.135161" y3="-4.818835" z3="2.314602">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.894773" y3="-4.419844" z3="-2.135657">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.743658" y3="-3.971893" z3="3.539074">
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                           <atom elementType="C" id="a21" x3="-3.173079" y3="-2.627886" z3="3.071349">
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                           <atom elementType="C" id="a25" x3="-2.723184" y3="-0.360843" z3="0.548481">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.763299" y3="0.004917" z3="4.105679">
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                           <atom elementType="H" id="a29" x3="-6.021956" y3="-4.294914" z3="2.139204">
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                           <atom elementType="H" id="a30" x3="-3.217026" y3="-5.185535" z3="4.983125">
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                           <atom elementType="H" id="a31" x3="-6.719151" y3="-3.180015" z3="-1.780099">
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                           <atom elementType="H" id="a34" x3="-5.39758" y3="-4.385819" z3="-0.538102">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.5569,-.7815,-2.0212;-2.5036,-1.7547,4.5345;-2.119,-2.7927,2.1072;-3.1575,-5.8092,.2842;-5.216,-4.2012,1.6132;-2.7615,-4.654,4.3162;-3.5532,-4.9272,-3.2062;-6.4179,-3.9647,-2.3592;-3.0385,-3.6488,-1.4252;-7.2275,-6.1871,-1.6584;-5.299,-4.7037,-1.5749;-5.6874,-6.1787,-1.7246;-7.5884,-4.9561,-2.498;-2.3774,-3.5727,.9246;-3.1868,-2.8405,-.2099;-2.9209,-4.9476,1.3903;-7.8025,-6.1669,-.2278;-4.1352,-4.8188,2.3146;-3.8948,-4.4198,-2.1357;-3.7437,-3.9719,3.5391;-3.1731,-2.6279,3.0713;-2.6376,-1.4268,-.5345;-6.0481,-3.3694,-3.69;-7.6751,-7.5131,.5014;-2.7232,-.3608,.5485;-8.2746,-7.481,1.9112;-2.7633,.0049,4.1057;-3.2817,-6.7005,.6406;-6.022,-4.2949,2.1392;-3.217,-5.1855,4.9831;-6.7192,-3.18,-1.7801;-2.1263,-3.6057,-1.8686;-7.6201,-7.0711,-2.1722;-5.3976,-4.3858,-.5381;-5.219,-6.7698,-.9406;-5.3343,-6.5392,-2.6939;-8.5005,-4.4424,-2.1943;-7.6472,-5.2059,-3.5575;-1.3785,-3.7453,.5103;-4.2399,-2.7676,.0602;-2.1213,-5.3544,2.0207;-7.311,-5.3874,.3674;-8.8647,-5.8983,-.2824;-4.4215,-5.8239,2.6549;-4.64,-3.7684,4.1374;-3.983,-2.0238,2.6479;-1.6064,-1.5146,-.8883;-5.2948,-2.6018,-3.5264;-5.6541,-4.1562,-4.3302;-6.9539,-2.9341,-4.1105;-8.1746,-8.2895,-.0926;-6.6194,-7.8025,.5669;-2.0581,-.6339,1.3679;-2.4095,.6033,.1455;-3.7411,-.2578,.9326;-7.7725,-6.7348,2.5377;-9.3401,-7.2268,1.8829;-8.1756,-8.4518,2.407;-2.5602,.5687,5.0185;-2.0811,.3407,3.3238;-3.7975,.1881,3.807;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2035640 0.1253859 0.0917086</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a5" x3="-5.191057" y3="-4.206255" z3="1.623653">
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                           <atom elementType="O" id="a6" x3="-2.711995" y3="-4.600883" z3="4.316208">
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                           <atom elementType="O" id="a7" x3="-3.532862" y3="-5.018646" z3="-3.175758">
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                           <atom elementType="N" id="a8" x3="-6.394167" y3="-3.941282" z3="-2.292367">
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                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.115787" y3="-3.638037" z3="-1.890871">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.684067" y3="-7.014594" z3="-2.204967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.3548" y3="-4.459194" z3="-0.51565">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.265975" y3="-6.83102" z3="-0.983333">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.39139" y3="-6.551433" z3="-2.726541">
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                           <atom elementType="H" id="a37" x3="-8.483435" y3="-4.356759" z3="-2.090757">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-7.695587" y3="-5.085452" z3="-3.508837">
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                           <atom elementType="H" id="a39" x3="-1.351266" y3="-3.753597" z3="0.520376">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.208345" y3="-2.778721" z3="0.043077">
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                           <atom elementType="H" id="a41" x3="-2.09067" y3="-5.336991" z3="2.053516">
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                           <atom elementType="H" id="a42" x3="-7.329573" y3="-5.421259" z3="0.387172">
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                           <atom elementType="H" id="a43" x3="-8.887985" y3="-5.898746" z3="-0.273407">
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                           <atom elementType="H" id="a44" x3="-4.389497" y3="-5.812412" z3="2.685536">
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                           <atom elementType="H" id="a55" x3="-3.715852" y3="-0.283238" z3="0.888026">
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                           <atom elementType="H" id="a56" x3="-7.792338" y3="-6.851997" z3="2.525964">
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                           <atom elementType="H" id="a57" x3="-9.372143" y3="-7.269614" z3="1.849302">
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                           <atom elementType="H" id="a58" x3="-8.245579" y3="-8.548883" z3="2.322433">
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                           <atom elementType="H" id="a59" x3="-2.67929" y3="0.626302" z3="4.978221">
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                           <atom elementType="H" id="a60" x3="-2.209111" y3="0.421848" z3="3.278603">
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                           <atom elementType="H" id="a61" x3="-3.911326" y3="0.1863" z3="3.780751">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.5034,-.8028,-2.0597;-2.5167,-1.6898,4.4985;-2.1097,-2.7668,2.0912;-3.1151,-5.824,.3201;-5.1911,-4.2063,1.6237;-2.712,-4.6009,4.3162;-3.5329,-5.0186,-3.1758;-6.3942,-3.9413,-2.2924;-3.0207,-3.6873,-1.4341;-7.2612,-6.163,-1.6618;-5.284,-4.7477,-1.5629;-5.7234,-6.2022,-1.7454;-7.5975,-4.8858,-2.4422;-2.3533,-3.5756,.9255;-3.1573,-2.8652,-.2284;-2.8901,-4.9444,1.4136;-7.8284,-6.1806,-.2285;-4.1062,-4.8111,2.3322;-3.8768,-4.4793,-2.122;-3.7156,-3.9465,3.5443;-3.1693,-2.6034,3.0525;-2.6024,-1.4513,-.5686;-6.0285,-3.3072,-3.6081;-7.7132,-7.5482,.4588;-2.6959,-.3818,.5072;-8.3145,-7.5555,1.8681;-2.8659,.0542,4.0671;-3.2042,-6.7169,.6822;-5.9837,-4.2634,2.175;-3.15,-5.1699,4.9629;-6.6583,-3.1757,-1.67;-2.1158,-3.638,-1.8909;-7.6841,-7.0146,-2.205;-5.3548,-4.4592,-.5157;-5.266,-6.831,-.9833;-5.3914,-6.5514,-2.7265;-8.4834,-4.3568,-2.0908;-7.6956,-5.0855,-3.5088;-1.3513,-3.7536,.5204;-4.2083,-2.7787,.0431;-2.0907,-5.337,2.0535;-7.3296,-5.4213,.3872;-8.888,-5.8987,-.2734;-4.3895,-5.8124,2.6855;-4.6077,-3.7462,4.1503;-3.9923,-2.0259,2.6194;-1.5707,-1.5445,-.917;-5.2645,-2.5513,-3.4393;-5.6522,-4.0782,-4.277;-6.931,-2.8464,-4.007;-8.2188,-8.3009,-.1597;-6.6604,-7.851,.5155;-2.0316,-.6484,1.3277;-2.3876,.5833,.1018;-3.7159,-.2832,.888;-7.7923,-6.852,2.526;-9.3721,-7.2696,1.8493;-8.2456,-8.5489,2.3224;-2.6793,.6263,4.9782;-2.2091,.4218,3.2786;-3.9113,.1863,3.7808;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2022137 0.1249036 0.0917828</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.592422" y3="-0.78745" z3="-2.020322">
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                           <atom elementType="O" id="a3" x3="-2.106981" y3="-2.77233" z3="2.089023">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-3.10748" y3="-5.817483" z3="0.29254">
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                           <atom elementType="O" id="a5" x3="-5.176506" y3="-4.232249" z3="1.644406">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.655172" y3="-4.637888" z3="4.295903">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.53847" y3="-5.007579" z3="-3.176326">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.401928" y3="-3.96317" z3="-2.344071">
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                           <atom elementType="N" id="a9" x3="-3.03661" y3="-3.665114" z3="-1.441292">
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                           <atom elementType="C" id="a11" x3="-5.294432" y3="-4.733814" z3="-1.572059">
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                           <atom elementType="C" id="a12" x3="-5.710621" y3="-6.19807" z3="-1.716884">
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                           <atom elementType="C" id="a14" x3="-2.353336" y3="-3.57122" z3="0.917243">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.172381" y3="-2.859053" z3="-0.225549">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-2.8744" y3="-4.95131" z3="1.394677">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.846141" y3="-6.14851" z3="-0.246788">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-4.079696" y3="-4.839822" z3="2.330946">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.887566" y3="-4.464582" z3="-2.126142">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.679359" y3="-3.9875" z3="3.549027">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.156017" y3="-2.633288" z3="3.06544">
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                           <atom elementType="C" id="a22" x3="-2.64311" y3="-1.435717" z3="-0.560666">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.015782" y3="-3.345719" z3="-3.661364">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.71564" y3="-7.483839" z3="0.497805">
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                           <atom elementType="C" id="a25" x3="-2.726063" y3="-0.379704" z3="0.527289">
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                           <atom elementType="C" id="a26" x3="-8.320729" y3="-7.438419" z3="1.904496">
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                           <atom elementType="H" id="a32" x3="-2.130633" y3="-3.614372" z3="-1.895715">
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                           <atom elementType="H" id="a33" x3="-7.649937" y3="-7.052947" z3="-2.188454">
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.385651" y3="-4.417788" z3="-0.534458">
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                           <atom elementType="H" id="a35" x3="-5.260003" y3="-6.792709" z3="-0.922908">
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                           <atom elementType="H" id="a36" x3="-5.351577" y3="-6.577065" z3="-2.677567">
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                           <atom elementType="H" id="a37" x3="-8.490706" y3="-4.410244" z3="-2.198512">
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                           <atom elementType="H" id="a44" x3="-4.351401" y3="-5.847815" z3="2.67475">
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                           <atom elementType="H" id="a47" x3="-1.619788" y3="-1.511314" z3="-0.937109">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.5924,-.7874,-2.0203;-2.4948,-1.7266,4.5121;-2.107,-2.7723,2.089;-3.1075,-5.8175,.2925;-5.1765,-4.2322,1.6444;-2.6552,-4.6379,4.2959;-3.5385,-5.0076,-3.1763;-6.4019,-3.9632,-2.3441;-3.0366,-3.6651,-1.4413;-7.2499,-6.1767,-1.6674;-5.2944,-4.7338,-1.5721;-5.7106,-6.1981,-1.7169;-7.5831,-4.933,-2.5013;-2.3533,-3.5712,.9172;-3.1724,-2.8591,-.2255;-2.8744,-4.9513,1.3947;-7.8461,-6.1485,-.2468;-4.0797,-4.8398,2.3309;-3.8876,-4.4646,-2.1261;-3.6794,-3.9875,3.549;-3.156,-2.6333,3.0654;-2.6431,-1.4357,-.5607;-6.0158,-3.3457,-3.6614;-7.7156,-7.4838,.4978;-2.7261,-.3797,.5273;-8.3207,-7.4384,1.9045;-2.8858,.016,4.1118;-3.1749,-6.7175,.6414;-5.9609,-4.2875,2.2078;-3.0746,-5.2304,4.9334;-6.6977,-3.192,-1.743;-2.1306,-3.6144,-1.8957;-7.6499,-7.0529,-2.1885;-5.3857,-4.4178,-.5345;-5.26,-6.7927,-.9229;-5.3516,-6.5771,-2.6776;-8.4907,-4.4102,-2.1985;-7.6434,-5.1701,-3.5631;-1.3521,-3.7351,.5041;-4.2217,-2.7874,.0541;-2.0634,-5.3462,2.0186;-7.3737,-5.3562,.3478;-8.9097,-5.8882,-.3221;-4.3514,-5.8478,2.6747;-4.5637,-3.8035,4.1717;-3.9931,-2.0623,2.6511;-1.6198,-1.5113,-.9371;-5.2789,-2.5649,-3.4834;-5.5981,-4.1181,-4.3022;-6.9164,-2.9164,-4.0981;-8.2082,-8.2694,-.0899;-6.659,-7.7704,.5699;-2.0421,-.6466,1.3312;-2.4366,.5928,.125;-3.7396,-.2971,.9289;-7.8044,-6.7058,2.5349;-9.38,-7.1598,1.8716;-8.2473,-8.4124,2.3984;-2.6961,.5774,5.029;-2.2488,.4098,3.3198;-3.9379,.1305,3.8434;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2031214 0.1246712 0.0920417</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.149678" y3="-4.271742" z3="1.656253">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-2.600627" y3="-4.641642" z3="4.288823">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a7" x3="-3.532724" y3="-5.0118" z3="-3.173511">
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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>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
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                  </module>
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                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.751751" y3="-0.777684" z3="-1.968691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.466783" y3="-1.754482" z3="4.517626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.091597" y3="-2.756169" z3="2.077322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.018305" y3="-5.809324" z3="0.254656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.115481" y3="-4.327749" z3="1.659475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.542805" y3="-4.657078" z3="4.275571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.51921" y3="-5.033619" z3="-3.149943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.391245" y3="-3.993737" z3="-2.383135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.05171" y3="-3.630453" z3="-1.452513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.234942" y3="-6.189452" z3="-1.655252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.291606" y3="-4.730127" z3="-1.568492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.694823" y3="-6.201788" z3="-1.657317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.544694" y3="-4.989957" z3="-2.560611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.330342" y3="-3.544497" z3="0.897866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.192058" y3="-2.847113" z3="-0.223737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.79457" y3="-4.951116" z3="1.364281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.874641" y3="-6.098774" z3="-0.256561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.985963" y3="-4.895151" z3="2.323755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.881002" y3="-4.472535" z3="-2.113732">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="-3.597981" y3="-4.041145" z3="3.546307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="-3.126672" y3="-2.665376" z3="3.072348">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.725181" y3="-1.402272" z3="-0.555639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-5.981633" y3="-3.37811" z3="-3.690414">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.791263" y3="-7.408009" z3="0.538478">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="-2.803276" y3="-0.359269" z3="0.54286">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a26" x3="-8.460602" y3="-7.310581" z3="1.912532">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.919729" y3="-0.020735" z3="4.145164">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-3.003546" y3="-6.719616" z3="0.582132">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="-5.878262" y3="-4.369004" z3="2.253195">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="-2.92689" y3="-5.329323" z3="4.85385">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-6.72456" y3="-3.227582" z3="-1.796903">
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                           <atom elementType="H" id="a34" x3="-5.40162" y3="-4.381407" z3="-0.544235">
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                           <atom elementType="H" id="a56" x3="-7.985559" y3="-6.541573" z3="2.532252">
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                           <atom elementType="H" id="a57" x3="-9.521214" y3="-7.051617" z3="1.818662">
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                           <atom elementType="H" id="a58" x3="-8.395579" y3="-8.260142" z3="2.45305">
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                           <atom elementType="H" id="a59" x3="-2.716373" y3="0.537417" z3="5.061718">
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                           <atom elementType="H" id="a60" x3="-2.318384" y3="0.399033" z3="3.338597">
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                           <atom elementType="H" id="a61" x3="-3.982259" y3="0.065377" z3="3.910149">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.7518,-.7777,-1.9687;-2.4668,-1.7545,4.5176;-2.0916,-2.7562,2.0773;-3.0183,-5.8093,.2547;-5.1155,-4.3277,1.6595;-2.5428,-4.6571,4.2756;-3.5192,-5.0336,-3.1499;-6.3912,-3.9937,-2.3831;-3.0517,-3.6305,-1.4525;-7.2349,-6.1895,-1.6553;-5.2916,-4.7301,-1.5685;-5.6948,-6.2018,-1.6573;-7.5447,-4.99,-2.5606;-2.3303,-3.5445,.8979;-3.1921,-2.8471,-.2237;-2.7946,-4.9511,1.3643;-7.8746,-6.0988,-.2566;-3.986,-4.8952,2.3238;-3.881,-4.4725,-2.1137;-3.598,-4.0411,3.5463;-3.1267,-2.6654,3.0723;-2.7252,-1.4023,-.5556;-5.9816,-3.3781,-3.6904;-7.7913,-7.408,.5385;-2.8033,-.3593,.5429;-8.4606,-7.3106,1.9125;-2.9197,-.0207,4.1452;-3.0035,-6.7196,.5821;-5.8783,-4.369,2.2532;-2.9269,-5.3293,4.8539;-6.7246,-3.2276,-1.7969;-2.1382,-3.5911,-1.8927;-7.6156,-7.09,-2.1489;-5.4016,-4.3814,-.5442;-5.2611,-6.7482,-.8187;-5.3033,-6.6302,-2.5836;-8.4781,-4.4726,-2.336;-7.543,-5.2756,-3.6127;-1.3292,-3.668,.4699;-4.2385,-2.8171,.0745;-1.9592,-5.3245,1.9687;-7.4096,-5.2936,.3276;-8.9305,-5.8225,-.3748;-4.2109,-5.9179,2.6595;-4.4801,-3.8914,4.1823;-3.9909,-2.117,2.6825;-1.7161,-1.4366,-.9745;-5.2677,-2.5801,-3.4921;-5.5315,-4.1464,-4.3127;-6.8763,-2.9685,-4.1583;-8.2628,-8.2107,-.0442;-6.7419,-7.7023,.6668;-2.0951,-.6158,1.3287;-2.5428,.6219,.1402;-3.8098,-.3024,.9663;-7.9856,-6.5416,2.5323;-9.5212,-7.0516,1.8187;-8.3956,-8.2601,2.4531;-2.7164,.5374,5.0617;-2.3184,.399,3.3386;-3.9823,.0654,3.9101;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2033455 0.1236829 0.0924662</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.755606" y3="-0.770075" z3="-1.96396">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="S" id="a2" x3="-2.47324" y3="-1.755327" z3="4.518621">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.088897" y3="-2.753624" z3="2.077162">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-3.001932" y3="-5.808507" z3="0.25127">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.108654" y3="-4.334665" z3="1.650832">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.542659" y3="-4.657463" z3="4.272921">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.524199" y3="-5.036342" z3="-3.14012">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.394673" y3="-3.995212" z3="-2.376846">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.057533" y3="-3.623746" z3="-1.450217">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.296087" y3="-4.726538" z3="-1.558046">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.696145" y3="-6.200583" z3="-1.64391">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a13" x3="-7.542244" y3="-4.997537" z3="-2.563749">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.325901" y3="-3.538682" z3="0.895092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.193649" y3="-2.839982" z3="-0.220351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.783754" y3="-4.947595" z3="1.359907">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.885398" y3="-6.101074" z3="-0.257621">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-3.977948" y3="-4.896732" z3="2.316677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.886554" y3="-4.469856" z3="-2.10765">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.596466" y3="-4.042923" z3="3.540647">
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                           <atom elementType="C" id="a21" x3="-3.125851" y3="-2.665461" z3="3.069577">
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                           <atom elementType="C" id="a22" x3="-2.7247" y3="-1.396721" z3="-0.553409">
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                           <atom elementType="C" id="a25" x3="-2.795112" y3="-0.352065" z3="0.545252">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.480216" y3="-7.31636" z3="1.907585">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.917035" y3="-0.021317" z3="4.137714">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.983202" y3="-6.718037" z3="0.580579">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-5.870429" y3="-4.377177" z3="2.245757">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.926259" y3="-5.34236" z3="4.837061">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-6.733673" y3="-3.230343" z3="-1.792224">
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                           <atom elementType="H" id="a33" x3="-7.612484" y3="-7.094831" z3="-2.14562">
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                           <atom elementType="H" id="a34" x3="-5.405324" y3="-4.374915" z3="-0.534949">
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                           <atom elementType="H" id="a40" x3="-4.2390" y3="-2.809933" z3="0.083012">
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                           <atom elementType="H" id="a61" x3="-3.977561" y3="0.068207" z3="3.894705">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.7556,-.7701,-1.964;-2.4732,-1.7553,4.5186;-2.0889,-2.7536,2.0772;-3.0019,-5.8085,.2513;-5.1087,-4.3347,1.6508;-2.5427,-4.6575,4.2729;-3.5242,-5.0363,-3.1401;-6.3947,-3.9952,-2.3768;-3.0575,-3.6237,-1.4502;-7.2368,-6.1922,-1.6521;-5.2961,-4.7265,-1.558;-5.6961,-6.2006,-1.6439;-7.5422,-4.9975,-2.5637;-2.3259,-3.5387,.8951;-3.1936,-2.84,-.2204;-2.7838,-4.9476,1.3599;-7.8854,-6.1011,-.2576;-3.9779,-4.8967,2.3167;-3.8866,-4.4699,-2.1077;-3.5965,-4.0429,3.5406;-3.1259,-2.6655,3.0696;-2.7247,-1.3967,-.5534;-5.9797,-3.3767,-3.6812;-7.7993,-7.4096,.5392;-2.7951,-.3521,.5453;-8.4802,-7.3164,1.9076;-2.917,-.0213,4.1377;-2.9832,-6.718,.5806;-5.8704,-4.3772,2.2458;-2.9263,-5.3424,4.8371;-6.7337,-3.2303,-1.7922;-2.1404,-3.5954,-1.8842;-7.6125,-7.0948,-2.1456;-5.4053,-4.3749,-.5349;-5.2657,-6.7452,-.803;-5.2993,-6.628,-2.5683;-8.4798,-4.4824,-2.3523;-7.5249,-5.2877,-3.6146;-1.3254,-3.656,.4642;-4.239,-2.8099,.083;-1.948,-5.3164,1.9664;-7.4273,-5.2931,.3278;-8.9421,-5.8307,-.3815;-4.1982,-5.921,2.6513;-4.4816,-3.896,4.1735;-3.9893,-2.117,2.6776;-1.7169,-1.4332,-.9751;-5.2567,-2.5879,-3.4804;-5.5382,-4.1463,-4.3092;-6.8718,-2.9571,-4.1449;-8.2611,-8.2157,-.0465;-6.7489,-7.6957,.6761;-2.0824,-.6095,1.3271;-2.5351,.628,.14;-3.7983,-.2925,.9757;-8.0209,-6.5374,2.5266;-9.5438,-7.0735,1.8048;-8.4046,-8.2622,2.4533;-2.7186,.5402,5.0532;-2.3087,.3927,3.3333;-3.9776,.0682,3.8947;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2032295 0.1236489 0.0924692</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.761559" y3="-0.767964" z3="-1.960272">
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                           <atom elementType="O" id="a4" x3="-2.990717" y3="-5.807202" z3="0.244903">
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                           <atom elementType="O" id="a5" x3="-5.103526" y3="-4.347593" z3="1.647198">
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                           <atom elementType="O" id="a6" x3="-2.537923" y3="-4.658918" z3="4.271272">
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                           <atom elementType="O" id="a7" x3="-3.521626" y3="-5.041687" z3="-3.136131">
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                           <atom elementType="N" id="a8" x3="-6.394937" y3="-3.996794" z3="-2.37501">
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                           <atom elementType="C" id="a14" x3="-2.322542" y3="-3.536907" z3="0.893766">
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                           <atom elementType="C" id="a17" x3="-7.887515" y3="-6.096508" z3="-0.257249">
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                           <atom elementType="C" id="a18" x3="-3.969771" y3="-4.903912" z3="2.312618">
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                           <atom elementType="C" id="a25" x3="-2.789085" y3="-0.352378" z3="0.545639">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.138716" y3="-3.597191" z3="-1.882727">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.611112" y3="-7.097409" z3="-2.141031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.402808" y3="-4.373428" z3="-0.533488">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.266694" y3="-6.745117" z3="-0.797234">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.29776" y3="-6.629594" z3="-2.563036">
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                           <atom elementType="H" id="a37" x3="-8.478953" y3="-4.487292" z3="-2.359715">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-7.516141" y3="-5.293659" z3="-3.616114">
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                           <atom elementType="H" id="a39" x3="-1.321409" y3="-3.649914" z3="0.463093">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.237091" y3="-2.810042" z3="0.083986">
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                           <atom elementType="H" id="a41" x3="-1.938058" y3="-5.314973" z3="1.961129">
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                           <atom elementType="H" id="a42" x3="-7.431056" y3="-5.285653" z3="0.32534">
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                           <atom elementType="H" id="a43" x3="-8.944161" y3="-5.827805" z3="-0.384452">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-4.184627" y3="-5.929649" z3="2.646312">
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                           <atom elementType="H" id="a46" x3="-3.993647" y3="-2.12486" z3="2.673676">
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                           <atom elementType="H" id="a54" x3="-2.533794" y3="0.628485" z3="0.139641">
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                           <atom elementType="H" id="a56" x3="-8.028373" y3="-6.522418" z3="2.529481">
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                           <atom elementType="H" id="a57" x3="-9.549742" y3="-7.059286" z3="1.805175">
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                           <atom elementType="H" id="a58" x3="-8.413823" y3="-8.246994" z3="2.460859">
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                           <atom elementType="H" id="a59" x3="-2.743193" y3="0.538866" z3="5.051565">
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                           <atom elementType="H" id="a60" x3="-2.324904" y3="0.392725" z3="3.33343">
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                           <atom elementType="H" id="a61" x3="-3.994568" y3="0.060404" z3="3.887705">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.7616,-.768,-1.9603;-2.4841,-1.7557,4.5182;-2.0893,-2.7526,2.0772;-2.9907,-5.8072,.2449;-5.1035,-4.3476,1.6472;-2.5379,-4.6589,4.2713;-3.5216,-5.0417,-3.1361;-6.3949,-3.9968,-2.375;-3.0568,-3.6234,-1.4506;-7.2363,-6.1929,-1.6502;-5.2951,-4.7271,-1.5561;-5.6956,-6.2015,-1.6394;-7.5398,-5.0014,-2.566;-2.3225,-3.5369,.8938;-3.1921,-2.8392,-.2207;-2.7753,-4.948,1.3557;-7.8875,-6.0965,-.2572;-3.9698,-4.9039,2.3126;-3.8851,-4.4717,-2.1062;-3.5935,-4.049,3.5374;-3.1285,-2.6691,3.0676;-2.7243,-1.396,-.5546;-5.9815,-3.3723,-3.6776;-7.802,-7.4016,.5456;-2.7891,-.3524,.5456;-8.4868,-7.303,1.9118;-2.9346,-.0239,4.1354;-2.9704,-6.7174,.5723;-5.865,-4.395,2.2421;-2.9181,-5.3518,4.8281;-6.7368,-3.2341,-1.7889;-2.1387,-3.5972,-1.8827;-7.6111,-7.0974,-2.141;-5.4028,-4.3734,-.5335;-5.2667,-6.7451,-.7972;-5.2978,-6.6296,-2.563;-8.479,-4.4873,-2.3597;-7.5161,-5.2937,-3.6161;-1.3214,-3.6499,.4631;-4.2371,-2.81,.084;-1.9381,-5.315,1.9611;-7.4311,-5.2857,.3253;-8.9442,-5.8278,-.3845;-4.1846,-5.9296,2.6463;-4.48,-3.9062,4.1695;-3.9936,-2.1249,2.6737;-1.7184,-1.4327,-.9806;-5.26,-2.5829,-3.4746;-5.5387,-4.1384,-4.3089;-6.8751,-2.953,-4.1388;-8.2615,-8.2104,-.038;-6.7516,-7.6856,.6867;-2.0707,-.6097,1.3224;-2.5338,.6285,.1396;-3.7892,-.2949,.9834;-8.0284,-6.5224,2.5295;-9.5497,-7.0593,1.8052;-8.4138,-8.247,2.4609;-2.7432,.5389,5.0516;-2.3249,.3927,3.3334;-3.9946,.0604,3.8877;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2030559 0.1237278 0.0926039</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.769192" y3="-0.763483" z3="-1.955857">
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                           <atom elementType="S" id="a2" x3="-2.486104" y3="-1.757733" z3="4.518739">
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                           <atom elementType="O" id="a3" x3="-2.088504" y3="-2.750768" z3="2.076319">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.98198" y3="-5.805578" z3="0.240431">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a5" x3="-5.098747" y3="-4.354315" z3="1.646493">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.52969" y3="-4.66079" z3="4.267882">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.522731" y3="-5.042597" z3="-3.13336">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.39619" y3="-4.000662" z3="-2.374562">
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                           <atom elementType="N" id="a9" x3="-3.058996" y3="-3.620294" z3="-1.45082">
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                           <atom elementType="C" id="a10" x3="-7.23488" y3="-6.196864" z3="-1.650036">
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                           <atom elementType="C" id="a11" x3="-5.295694" y3="-4.727324" z3="-1.552859">
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                           <atom elementType="C" id="a12" x3="-5.694215" y3="-6.202734" z3="-1.631762">
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                           <atom elementType="C" id="a13" x3="-7.535803" y3="-5.009845" z3="-2.571894">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-2.320417" y3="-3.534306" z3="0.891988">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.193039" y3="-2.836998" z3="-0.220018">
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                           <atom elementType="C" id="a16" x3="-2.768666" y3="-4.947124" z3="1.352209">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.893939" y3="-6.095525" z3="-0.261055">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.962606" y3="-4.908069" z3="2.309974">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.886016" y3="-4.471456" z3="-2.104051">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.587957" y3="-4.053682" z3="3.535587">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.127691" y3="-2.671622" z3="3.067168">
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                           <atom elementType="C" id="a22" x3="-2.727512" y3="-1.39282" z3="-0.553518">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-5.98159" y3="-3.371303" z3="-3.674896">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.805015" y3="-7.394884" z3="0.55074">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.790305" y3="-0.350838" z3="0.548636">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.500429" y3="-7.292251" z3="1.911397">
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                           <atom elementType="H" id="a31" x3="-6.743392" y3="-3.240329" z3="-1.788325">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.140879" y3="-3.593794" z3="-1.882954">
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                           <atom elementType="H" id="a33" x3="-7.605378" y3="-7.104316" z3="-2.138661">
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.403256" y3="-4.370065" z3="-0.531519">
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                           <atom elementType="H" id="a35" x3="-5.268406" y3="-6.742988" z3="-0.786121">
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                           <atom elementType="H" id="a36" x3="-5.291981" y3="-6.632934" z3="-2.55263">
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                           <atom elementType="H" id="a37" x3="-8.478249" y3="-4.498264" z3="-2.374305">
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                           <atom elementType="H" id="a44" x3="-4.174043" y3="-5.934995" z3="2.642277">
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                           <atom elementType="H" id="a45" x3="-4.474367" y3="-3.914648" z3="4.168705">
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                           <atom elementType="H" id="a47" x3="-1.722754" y3="-1.427913" z3="-0.98221">
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                           <atom elementType="H" id="a48" x3="-5.263121" y3="-2.580062" z3="-3.468458">
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                           <atom elementType="H" id="a50" x3="-6.875618" y3="-2.954259" z3="-4.137142">
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                           <atom elementType="H" id="a54" x3="-2.538055" y3="0.631123" z3="0.143559">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.050054" y3="-6.506819" z3="2.528734">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.563584" y3="-7.053616" z3="1.795623">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-8.427732" y3="-8.233316" z3="2.465574">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.746512" y3="0.537027" z3="5.051155">
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                           <atom elementType="H" id="a60" x3="-2.323732" y3="0.390316" z3="3.334036">
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                           <atom elementType="H" id="a61" x3="-3.994786" y3="0.058368" z3="3.884268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.7692,-.7635,-1.9559;-2.4861,-1.7577,4.5187;-2.0885,-2.7508,2.0763;-2.982,-5.8056,.2404;-5.0987,-4.3543,1.6465;-2.5297,-4.6608,4.2679;-3.5227,-5.0426,-3.1334;-6.3962,-4.0007,-2.3746;-3.059,-3.6203,-1.4508;-7.2349,-6.1969,-1.65;-5.2957,-4.7273,-1.5529;-5.6942,-6.2027,-1.6318;-7.5358,-5.0098,-2.5719;-2.3204,-3.5343,.892;-3.193,-2.837,-.22;-2.7687,-4.9471,1.3522;-7.8939,-6.0955,-.2611;-3.9626,-4.9081,2.31;-3.886,-4.4715,-2.1041;-3.588,-4.0537,3.5356;-3.1277,-2.6716,3.0672;-2.7275,-1.3928,-.5535;-5.9816,-3.3713,-3.6749;-7.805,-7.3949,.5507;-2.7903,-.3508,.5486;-8.5004,-7.2923,1.9114;-2.9354,-.026,4.1346;-2.9602,-6.7161,.5669;-5.8591,-4.4047,2.2426;-2.906,-5.3613,4.8177;-6.7434,-3.2403,-1.7883;-2.1409,-3.5938,-1.883;-7.6054,-7.1043,-2.1387;-5.4033,-4.3701,-.5315;-5.2684,-6.743,-.7861;-5.292,-6.6329,-2.5526;-8.4782,-4.4983,-2.3743;-7.5023,-5.3051,-3.6209;-1.3194,-3.6439,.4601;-4.2374,-2.8096,.0866;-1.9299,-5.3123,1.9566;-7.4455,-5.2782,.3186;-8.9515,-5.8342,-.3958;-4.174,-5.935,2.6423;-4.4744,-3.9146,4.1687;-3.9947,-2.1298,2.6743;-1.7228,-1.4279,-.9822;-5.2631,-2.5801,-3.4685;-5.5343,-4.1344,-4.3069;-6.8756,-2.9543,-4.1371;-8.2547,-8.2104,-.031;-6.7537,-7.6702,.7014;-2.0693,-.6084,1.323;-2.5381,.6311,.1436;-3.789,-.2955,.9899;-8.0501,-6.5068,2.5287;-9.5636,-7.0536,1.7956;-8.4277,-8.2333,2.4656;-2.7465,.537,5.0512;-2.3237,.3903,3.334;-3.9948,.0584,3.8843;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2030336 0.1236675 0.0926378</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.776477" y3="-0.759134" z3="-1.951332">
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                           <atom elementType="S" id="a2" x3="-2.488939" y3="-1.761704" z3="4.518294">
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                           <atom elementType="O" id="a3" x3="-2.087211" y3="-2.750476" z3="2.074439">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.971478" y3="-5.805094" z3="0.233909">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-5.092968" y3="-4.364288" z3="1.644039">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.520898" y3="-4.664446" z3="4.263508">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.52407" y3="-5.043272" z3="-3.132518">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.39775" y3="-4.005498" z3="-2.374871">
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                           <atom elementType="N" id="a9" x3="-3.060654" y3="-3.61734" z3="-1.452701">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="-5.295688" y3="-4.727578" z3="-1.550432">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.691933" y3="-6.204084" z3="-1.623712">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-7.53059" y3="-5.020524" z3="-2.579553">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a14" x3="-2.317418" y3="-3.533016" z3="0.888953">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.19321" y3="-2.835794" z3="-0.22041">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-2.760663" y3="-4.947744" z3="1.347095">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.899765" y3="-6.09181" z3="-0.264942">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.954082" y3="-4.914652" z3="2.305668">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.886807" y3="-4.470902" z3="-2.103758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.58182" y3="-4.060644" z3="3.532251">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.12669" y3="-2.676246" z3="3.065461">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.730438" y3="-1.390265" z3="-0.552515">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-5.982946" y3="-3.369169" z3="-3.67231">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.80532" y3="-7.382133" z3="0.560592">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.791867" y3="-0.35071" z3="0.55219">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.512371" y3="-7.272126" z3="1.914794">
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                           <atom elementType="C" id="a27" x3="-2.944168" y3="-0.031053" z3="4.136245">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.893051" y3="-5.37316" z3="4.805687">
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                           <atom elementType="H" id="a32" x3="-2.142835" y3="-3.589831" z3="-1.885419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.598472" y3="-7.112797" z3="-2.133993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.402759" y3="-4.365844" z3="-0.530674">
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                           <atom elementType="H" id="a35" x3="-5.269067" y3="-6.740129" z3="-0.774153">
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                           <atom elementType="H" id="a36" x3="-5.285283" y3="-6.636966" z3="-2.541494">
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                           <atom elementType="H" id="a37" x3="-8.477081" y3="-4.512342" z3="-2.392959">
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                           <atom elementType="H" id="a38" x3="-7.484879" y3="-5.31994" z3="-3.626867">
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                           <atom elementType="H" id="a42" x3="-7.461245" y3="-5.265022" z3="0.308792">
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                           <atom elementType="H" id="a44" x3="-4.16145" y3="-5.942916" z3="2.636466">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-2.333562" y3="0.388244" z3="3.336493">
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                           <atom elementType="H" id="a61" x3="-4.003727" y3="0.049761" z3="3.885404">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
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                        </property>
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                  </module>
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                        <property dictRef="cml:molmass">
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                        </property>
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.819094" y3="-0.742015" z3="-1.928081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.496133" y3="-1.796264" z3="4.520128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.084184" y3="-2.754732" z3="2.065432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.922891" y3="-5.804432" z3="0.196655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-5.063997" y3="-4.417342" z3="1.632119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.474348" y3="-4.695588" z3="4.2378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.532531" y3="-5.036018" z3="-3.139393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.406588" y3="-4.036085" z3="-2.388936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.069391" y3="-3.602488" z3="-1.464462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.214927" y3="-6.226443" z3="-1.646852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.295537" y3="-4.727892" z3="-1.546332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.675531" y3="-6.210069" z3="-1.585926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.498492" y3="-5.085268" z3="-2.627161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.306467" y3="-3.529754" z3="0.872906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.198428" y3="-2.833273" z3="-0.223575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.723367" y3="-4.95575" z3="1.318578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.921273" y3="-6.06226" z3="-0.287437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.91242" y3="-4.954111" z3="2.28259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.891654" y3="-4.464624" z3="-2.108739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.549573" y3="-4.105845" z3="3.516106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.121537" y3="-2.709015" z3="3.060769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.754565" y3="-1.378617" z3="-0.544441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-5.992644" y3="-3.36631" z3="-3.670946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.791048" y3="-7.289423" z3="0.624994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.819806" y3="-0.352631" z3="0.572522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.561225" y3="-7.135543" z3="1.940365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a27" x3="-2.987249" y3="-0.070953" z3="4.158953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-2.896938" y3="-6.717982" z3="0.514277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-5.820555" y3="-4.497237" z3="2.22955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.825831" y3="-5.435816" z3="4.750921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-6.799133" y3="-3.299939" z3="-1.799418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.15516" y3="-3.564079" z3="-1.90382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.55918" y3="-7.161363" z3="-2.101757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.406042" y3="-4.34255" z3="-0.536198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.264701" y3="-6.71799" z3="-0.71403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.246293" y3="-6.661975" z3="-2.484442">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.46646" y3="-4.598414" z3="-2.504845">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-7.386529" y3="-5.411601" z3="-3.661521">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.305907" y3="-3.615166" z3="0.434684">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.23972" y3="-2.822512" z3="0.093403">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a41" x3="-1.873707" y3="-5.31073" z3="1.914077">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-7.539603" y3="-5.177827" z3="0.239716">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a43" x3="-8.985862" y3="-5.872399" z3="-0.475241">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-4.100361" y3="-5.98928" z3="2.603486">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-4.435415" y3="-3.992976" z3="4.155363">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-4.002186" y3="-2.183529" z3="2.676714">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="-1.754548" y3="-1.395121" z3="-0.984587">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.304625" y3="-2.555595" z3="-3.437796">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.509342" y3="-4.10237" z3="-4.3081">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-6.89335" y3="-2.971305" z3="-4.139143">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.157064" y3="-8.173596" z3="0.086898">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-6.733693" y3="-7.479911" z3="0.846224">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.086841" y3="-0.609658" z3="1.335901">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a54" x3="-2.588989" y3="0.639118" z3="0.178994">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a55" x3="-3.813728" y3="-0.31972" z3="1.02662">
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.18303" y3="-6.290964" z3="2.527219">
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.627176" y3="-6.960263" z3="1.756838">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.47255" y3="-8.034941" z3="2.557753">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.808119" y3="0.484793" z3="5.081795">
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                           </atom>
                           <atom elementType="H" id="a60" x3="-2.389083" y3="0.368819" z3="3.361004">
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.049542" y3="-0.008513" z3="3.914257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.8191,-.742,-1.9281;-2.4961,-1.7963,4.5201;-2.0842,-2.7547,2.0654;-2.9229,-5.8044,.1967;-5.064,-4.4173,1.6321;-2.4743,-4.6956,4.2378;-3.5325,-5.036,-3.1394;-6.4066,-4.0361,-2.3889;-3.0694,-3.6025,-1.4645;-7.2149,-6.2264,-1.6469;-5.2955,-4.7279,-1.5463;-5.6755,-6.2101,-1.5859;-7.4985,-5.0853,-2.6272;-2.3065,-3.5298,.8729;-3.1984,-2.8333,-.2236;-2.7234,-4.9558,1.3186;-7.9213,-6.0623,-.2874;-3.9124,-4.9541,2.2826;-3.8917,-4.4646,-2.1087;-3.5496,-4.1058,3.5161;-3.1215,-2.709,3.0608;-2.7546,-1.3786,-.5444;-5.9926,-3.3663,-3.6709;-7.791,-7.2894,.625;-2.8198,-.3526,.5725;-8.5612,-7.1355,1.9404;-2.9872,-.071,4.159;-2.8969,-6.718,.5143;-5.8206,-4.4972,2.2296;-2.8258,-5.4358,4.7509;-6.7991,-3.2999,-1.7994;-2.1552,-3.5641,-1.9038;-7.5592,-7.1614,-2.1018;-5.406,-4.3426,-.5362;-5.2647,-6.718,-.714;-5.2463,-6.662,-2.4844;-8.4665,-4.5984,-2.5048;-7.3865,-5.4116,-3.6615;-1.3059,-3.6152,.4347;-4.2397,-2.8225,.0934;-1.8737,-5.3107,1.9141;-7.5396,-5.1778,.2397;-8.9859,-5.8724,-.4752;-4.1004,-5.9893,2.6035;-4.4354,-3.993,4.1554;-4.0022,-2.1835,2.6767;-1.7545,-1.3951,-.9846;-5.3046,-2.5556,-3.4378;-5.5093,-4.1024,-4.3081;-6.8933,-2.9713,-4.1391;-8.1571,-8.1736,.0869;-6.7337,-7.4799,.8462;-2.0868,-.6097,1.3359;-2.589,.6391,.179;-3.8137,-.3197,1.0266;-8.183,-6.291,2.5272;-9.6272,-6.9603,1.7568;-8.4726,-8.0349,2.5578;-2.8081,.4848,5.0818;-2.3891,.3688,3.361;-4.0495,-.0085,3.9143;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2030250 0.1238196 0.0933823</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.938366" y3="-0.665216" z3="-1.844844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.586152" y3="-1.804249" z3="4.5235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.069402" y3="-2.694431" z3="2.06263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.710889" y3="-5.725505" z3="0.091133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.912828" y3="-4.64025" z3="1.648221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.22728" y3="-4.698686" z3="4.168882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.560432" y3="-5.030949" z3="-3.087611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.412949" y3="-4.07935" z3="-2.361759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.086719" y3="-3.561063" z3="-1.455091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.206792" y3="-6.258416" z3="-1.594558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.30378" y3="-4.717607" z3="-1.469038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.674419" y3="-6.206201" z3="-1.428723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.438786" y3="-5.181273" z3="-2.651828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.234948" y3="-3.45118" z3="0.849592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.179607" y3="-2.779896" z3="-0.214571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.534596" y3="-4.918167" z3="1.247685">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-8.029333" y3="-6.030667" z3="-0.308661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.687308" y3="-5.060743" z3="2.246532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.899942" y3="-4.464507" z3="-2.049605">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.379031" y3="-4.209275" z3="3.490718">
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                           <atom elementType="C" id="a21" x3="-3.10584" y3="-2.76773" z3="3.056479">
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                           <atom elementType="C" id="a25" x3="-2.756561" y3="-0.311964" z3="0.589616">
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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 elementType="C" id="a27" x3="-3.17324" y3="-0.119846" z3="4.115307">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.61905" y3="-6.648443" z3="0.366442">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-5.631947" y3="-4.835785" z3="2.264594">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.473318" y3="-5.515912" z3="4.62431">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-6.861581" y3="-3.35613" z3="-1.792117">
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                           <atom elementType="H" id="a33" x3="-7.497162" y3="-7.225653" z3="-2.018777">
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                           <atom elementType="H" id="a34" x3="-5.42618" y3="-4.273295" z3="-0.485497">
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                           <atom elementType="H" id="a61" x3="-4.230232" y3="-0.12965" z3="3.839373">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.9384,-.6652,-1.8448;-2.5862,-1.8042,4.5235;-2.0694,-2.6944,2.0626;-2.7109,-5.7255,.0911;-4.9128,-4.6402,1.6482;-2.2273,-4.6987,4.1689;-3.5604,-5.0309,-3.0876;-6.4129,-4.0793,-2.3618;-3.0867,-3.5611,-1.4551;-7.2068,-6.2584,-1.5946;-5.3038,-4.7176,-1.469;-5.6744,-6.2062,-1.4287;-7.4388,-5.1813,-2.6518;-2.2349,-3.4512,.8496;-3.1796,-2.7799,-.2146;-2.5346,-4.9182,1.2477;-8.0293,-6.0307,-.3087;-3.6873,-5.0607,2.2465;-3.8999,-4.4645,-2.0496;-3.379,-4.2093,3.4907;-3.1058,-2.7677,3.0565;-2.7697,-1.318,-.549;-5.9831,-3.3901,-3.6344;-7.9695,-7.1912,.6928;-2.7566,-.312,.5896;-8.9228,-6.9835,1.8751;-3.1732,-.1198,4.1153;-2.6191,-6.6484,.3664;-5.6319,-4.8358,2.2646;-2.4733,-5.5159,4.6243;-6.8616,-3.3561,-1.7921;-2.1766,-3.53,-1.9045;-7.4972,-7.2257,-2.0188;-5.4262,-4.2733,-.4855;-5.3143,-6.6566,-.5073;-5.1868,-6.6986,-2.2747;-8.432,-4.7331,-2.6477;-7.2089,-5.5494,-3.6516;-1.2345,-3.444,.4029;-4.2053,-2.7834,.1452;-1.6406,-5.2328,1.7996;-7.712,-5.1115,.1985;-9.0757,-5.8767,-.6008;-3.7535,-6.1176,2.5452;-4.2546,-4.2021,4.155;-4.0362,-2.3323,2.6784;-1.8044,-1.3194,-1.0598;-5.3094,-2.5726,-3.3855;-5.4756,-4.1131,-4.2678;-6.8846,-3.0087,-4.1113;-8.2209,-8.1259,.1758;-6.9459,-7.3063,1.0681;-1.9538,-.569,1.2812;-2.5854,.692,.1986;-3.7036,-.3088,1.1353;-8.6895,-6.0612,2.4193;-9.9617,-6.9071,1.5349;-8.8651,-7.8162,2.5832;-3.0598,.4634,5.0311;-2.5818,.3403,3.3242;-4.2302,-.1296,3.8394;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1993103 0.1221059 0.0938998</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-2.851534" y3="-5.801454" z3="0.148945">
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                           <atom elementType="O" id="a5" x3="-5.022084" y3="-4.482953" z3="1.608959">
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                           <atom elementType="O" id="a6" x3="-2.417952" y3="-4.733844" z3="4.204167">
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.540853" y3="-5.032127" z3="-3.141055">
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                           <atom elementType="N" id="a8" x3="-6.414259" y3="-4.077844" z3="-2.402965">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.171165" y3="-3.53138" z3="-1.922171">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.50921" y3="-7.220571" z3="-2.056396">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.410441" y3="-4.313286" z3="-0.538879">
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                           <atom elementType="H" id="a35" x3="-5.260411" y3="-6.691163" z3="-0.635943">
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                           <atom elementType="H" id="a36" x3="-5.198241" y3="-6.689297" z3="-2.407794">
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                           <atom elementType="H" id="a37" x3="-8.44065" y3="-4.710871" z3="-2.637276">
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                           <atom elementType="H" id="a40" x3="-4.245242" y3="-2.838914" z3="0.103721">
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                           <atom elementType="H" id="a57" x3="-9.688181" y3="-6.863015" z3="1.717191">
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                           <atom elementType="H" id="a59" x3="-2.868033" y3="0.423443" z3="5.117896">
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                           <atom elementType="H" id="a60" x3="-2.456774" y3="0.341165" z3="3.392701">
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                           <atom elementType="H" id="a61" x3="-4.103717" y3="-0.084235" z3="3.951408">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.8716,-.7211,-1.9009;-2.5028,-1.8412,4.5223;-2.0781,-2.7579,2.0529;-2.8515,-5.8015,.1489;-5.0221,-4.483,1.609;-2.418,-4.7338,4.2042;-3.5409,-5.0321,-3.1411;-6.4143,-4.0778,-2.403;-3.082,-3.5817,-1.4769;-7.1917,-6.259,-1.6392;-5.2944,-4.7289,-1.5354;-5.6549,-6.2172,-1.5331;-7.4521,-5.169,-2.6789;-2.2912,-3.5223,.8511;-3.2075,-2.8279,-.2251;-2.671,-4.9619,1.281;-7.9498,-6.0302,-.3175;-3.8562,-5.0011,2.2482;-3.8971,-4.4583,-2.1109;-3.5081,-4.161,3.4914;-3.1122,-2.7487,3.0528;-2.79,-1.3612,-.5293;-6.0031,-3.3723,-3.6683;-7.7809,-7.166,.701;-2.8688,-.3521,.6026;-8.6252,-6.9626,1.9636;-3.0385,-.1238,4.1884;-2.8208,-6.7177,.4585;-5.7751,-4.5962,2.205;-2.7421,-5.5158,4.6718;-6.8532,-3.3664,-1.8149;-2.1712,-3.5314,-1.9222;-7.5092,-7.2206,-2.0564;-5.4104,-4.3133,-.5389;-5.2604,-6.6912,-.6359;-5.1982,-6.6893,-2.4078;-8.4406,-4.7109,-2.6373;-7.2562,-5.5258,-3.6907;-1.2929,-3.5799,.4036;-4.2452,-2.8389,.1037;-1.8106,-5.3023,1.8697;-7.6431,-5.0811,.1424;-9.016,-5.9244,-.5554;-4.0191,-6.0448,2.5552;-4.3946,-4.0762,4.1343;-4.0057,-2.2383,2.6787;-1.7919,-1.354,-.9735;-5.3436,-2.545,-3.4121;-5.4875,-4.0834,-4.3087;-6.9101,-2.9994,-4.1419;-8.0584,-8.1151,.2245;-6.7258,-7.2587,.985;-2.1283,-.6063,1.3599;-2.66,.6497,.223;-3.8606,-.345,1.0624;-8.3247,-6.0583,2.5046;-9.6882,-6.863,1.7172;-8.5198,-7.8094,2.6489;-2.868,.4234,5.1179;-2.4568,.3412,3.3927;-4.1037,-.0842,3.9514;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2032138 0.1239106 0.0942664</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-2.912668" y3="-5.803432" z3="0.190738">
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                           <atom elementType="O" id="a5" x3="-5.058688" y3="-4.426231" z3="1.628957">
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                           <atom elementType="O" id="a6" x3="-2.467573" y3="-4.699709" z3="4.233846">
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.532479" y3="-5.035053" z3="-3.139442">
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                           <atom elementType="N" id="a8" x3="-6.407027" y3="-4.04221" z3="-2.391327">
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                           <atom elementType="C" id="a14" x3="-2.3048" y3="-3.527785" z3="0.870475">
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                           <atom elementType="C" id="a15" x3="-3.200031" y3="-2.83193" z3="-0.223555">
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                           <atom elementType="C" id="a16" x3="-2.716292" y3="-4.955803" z3="1.314031">
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                           <atom elementType="C" id="a17" x3="-7.92421" y3="-6.059021" z3="-0.291888">
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                           <atom elementType="C" id="a18" x3="-3.90511" y3="-4.960054" z3="2.278209">
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                           <atom elementType="C" id="a19" x3="-3.891667" y3="-4.463466" z3="-2.108934">
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                           <atom elementType="C" id="a20" x3="-3.54488" y3="-4.112656" z3="3.513072">
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                           <atom elementType="C" id="a21" x3="-3.121564" y3="-2.713562" z3="3.059999">
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                           <atom elementType="C" id="a23" x3="-5.993104" y3="-3.367572" z3="-3.671027">
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                           <atom elementType="C" id="a24" x3="-7.788037" y3="-7.274687" z3="0.635001">
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                           <atom elementType="C" id="a25" x3="-2.827943" y3="-0.351686" z3="0.576756">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.8269,-.7388,-1.9245;-2.499,-1.8012,4.5208;-2.0843,-2.754,2.0643;-2.9127,-5.8034,.1907;-5.0587,-4.4262,1.629;-2.4676,-4.6997,4.2338;-3.5325,-5.0351,-3.1394;-6.407,-4.0422,-2.3913;-3.0708,-3.5991,-1.4659;-7.2106,-6.2317,-1.6465;-5.2947,-4.7283,-1.5451;-5.6715,-6.2115,-1.5792;-7.4916,-5.0974,-2.635;-2.3048,-3.5278,.8705;-3.2,-2.8319,-.2236;-2.7163,-4.9558,1.314;-7.9242,-6.059,-.2919;-3.9051,-4.9601,2.2782;-3.8917,-4.4635,-2.1089;-3.5449,-4.1127,3.5131;-3.1216,-2.7136,3.06;-2.7602,-1.3755,-.5422;-5.9931,-3.3676,-3.671;-7.788,-7.2747,.635;-2.8279,-.3517,.5768;-8.5685,-7.114,1.9435;-2.9967,-.077,4.1631;-2.8858,-6.7173,.5073;-5.8149,-4.5109,2.2261;-2.8154,-5.4458,4.741;-6.8062,-3.3093,-1.802;-2.1569,-3.5587,-1.9058;-7.5508,-7.1705,-2.0965;-5.4063,-4.3389,-.5367;-5.2628,-6.7147,-.7037;-5.2383,-6.666,-2.4745;-8.4628,-4.6145,-2.5236;-7.3681,-5.428,-3.6667;-1.3044,-3.6091,.4312;-4.241,-2.8245,.0948;-1.8652,-5.3085,1.9088;-7.553,-5.1652,.227;-8.9894,-5.8806,-.4871;-4.0894,-5.9965,2.5973;-4.431,-4.0039,4.1526;-4.0041,-2.1904,2.677;-1.7603,-1.3884,-.9826;-5.3091,-2.5544,-3.4346;-5.5051,-4.1003,-4.3085;-6.8946,-2.9757,-4.1402;-8.1419,-8.1683,.1044;-6.7304,-7.4521,.8654;-2.0941,-.608,1.3395;-2.6004,.6415,.1851;-3.8217,-.3226,1.0314;-8.2011,-6.2609,2.5248;-9.6345,-6.9489,1.751;-8.4771,-8.0067,2.5702;-2.8192,.4777,5.0868;-2.4007,.3663,3.3655;-4.0594,-.0181,3.9192;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2030413 0.1238419 0.0934991</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-2.346656" y3="-4.742534" z3="4.193224">
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                                 <scalar dataType="xsd:integer">0</scalar>
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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>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
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                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
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               </module>
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                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.940397" y3="-0.699845" z3="-1.855445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.476804" y3="-1.857706" z3="4.528265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.061302" y3="-2.746463" z3="2.049165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.810338" y3="-5.778652" z3="0.116839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.978743" y3="-4.537038" z3="1.625874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.333006" y3="-4.744704" z3="4.185033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.561161" y3="-5.009676" z3="-3.137339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.429182" y3="-4.109991" z3="-2.420431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.095085" y3="-3.559343" z3="-1.475618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.171586" y3="-6.289343" z3="-1.628971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.304837" y3="-4.71416" z3="-1.521649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.641169" y3="-6.207704" z3="-1.467935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.414573" y3="-5.241162" z3="-2.715048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.272967" y3="-3.502801" z3="0.842396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.209396" y3="-2.812792" z3="-0.218873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.623142" y3="-4.954588" z3="1.259038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-7.990321" y3="-6.029334" z3="-0.34861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.790805" y3="-5.029234" z3="2.244779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.910239" y3="-4.441233" z3="-2.101153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.444631" y3="-4.191188" z3="3.490746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.084597" y3="-2.767508" z3="3.059743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.812377" y3="-1.340653" z3="-0.522896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.023213" y3="-3.382515" z3="-3.674801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.827511" y3="-7.108386" z3="0.729974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="-2.864416" y3="-0.341226" z3="0.617776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.755231" y3="-6.892138" z3="1.930503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a27" x3="-3.039106" y3="-0.146472" z3="4.206129">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-2.767321" y3="-6.699164" z3="0.411999">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="-5.721268" y3="-4.675568" z3="2.229715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.633256" y3="-5.537783" z3="4.649604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a31" x3="-6.911259" y3="-3.421071" z3="-1.839529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.190287" y3="-3.501369" z3="-1.932079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.450676" y3="-7.272336" z3="-2.023104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.438804" y3="-4.264384" z3="-0.542306">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.268601" y3="-6.634759" z3="-0.538437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.14632" y3="-6.707691" z3="-2.305295">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.419294" y3="-4.817763" z3="-2.74069">
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                           <atom elementType="H" id="a39" x3="-1.277775" y3="-3.538873" z3="0.385664">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.241827" y3="-2.834045" z3="0.124537">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a41" x3="-1.747008" y3="-5.289267" z3="1.82787">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-7.740682" y3="-5.048769" z3="0.080126">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a43" x3="-9.048152" y3="-5.973744" z3="-0.635674">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-3.923222" y3="-6.079063" z3="2.545544">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-4.324493" y3="-4.130732" z3="4.145507">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-3.993469" y3="-2.27426" z3="2.699819">
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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 elementType="H" id="a49" x3="-5.462394" y3="-4.067206" z3="-4.304817">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a50" x3="-6.93588" y3="-3.049159" z3="-4.166968">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.028148" y3="-8.091552" z3="0.284756">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-6.788116" y3="-7.132372" z3="1.078558">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.1029" y3="-0.596987" z3="1.353346">
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                           </atom>
                           <atom elementType="H" id="a54" x3="-2.670352" y3="0.664323" z3="0.239716">
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                           <atom elementType="H" id="a55" x3="-3.843915" y3="-0.342817" z3="1.103371">
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.536543" y3="-5.94819" z3="2.442394">
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.805306" y3="-6.862979" z3="1.61887">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.64702" y3="-7.699148" z3="2.661943">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.871779" y3="0.397265" z3="5.138269">
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                           <atom elementType="H" id="a60" x3="-2.467476" y3="0.331776" z3="3.41103">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.105811" y3="-0.121284" z3="3.974024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.9404,-.6998,-1.8554;-2.4768,-1.8577,4.5283;-2.0613,-2.7465,2.0492;-2.8103,-5.7787,.1168;-4.9787,-4.537,1.6259;-2.333,-4.7447,4.185;-3.5612,-5.0097,-3.1373;-6.4292,-4.11,-2.4204;-3.0951,-3.5593,-1.4756;-7.1716,-6.2893,-1.629;-5.3048,-4.7142,-1.5216;-5.6412,-6.2077,-1.4679;-7.4146,-5.2412,-2.715;-2.273,-3.5028,.8424;-3.2094,-2.8128,-.2189;-2.6231,-4.9546,1.259;-7.9903,-6.0293,-.3486;-3.7908,-5.0292,2.2448;-3.9102,-4.4412,-2.1012;-3.4446,-4.1912,3.4907;-3.0846,-2.7675,3.0597;-2.8124,-1.3407,-.5229;-6.0232,-3.3825,-3.6748;-7.8275,-7.1084,.73;-2.8644,-.3412,.6178;-8.7552,-6.8921,1.9305;-3.0391,-.1465,4.2061;-2.7673,-6.6992,.412;-5.7213,-4.6756,2.2297;-2.6333,-5.5378,4.6496;-6.9113,-3.4211,-1.8395;-2.1903,-3.5014,-1.9321;-7.4507,-7.2723,-2.0231;-5.4388,-4.2644,-.5423;-5.2686,-6.6348,-.5384;-5.1463,-6.7077,-2.3053;-8.4193,-4.8178,-2.7407;-7.1533,-5.6219,-3.7032;-1.2778,-3.5389,.3857;-4.2418,-2.834,.1245;-1.747,-5.2893,1.8279;-7.7407,-5.0488,.0801;-9.0482,-5.9737,-.6357;-3.9232,-6.0791,2.5455;-4.3245,-4.1307,4.1455;-3.9935,-2.2743,2.6998;-1.8286,-1.3226,-.9977;-5.4088,-2.526,-3.4019;-5.4624,-4.0672,-4.3048;-6.9359,-3.0492,-4.167;-8.0281,-8.0916,.2848;-6.7881,-7.1324,1.0786;-2.1029,-.597,1.3533;-2.6704,.6643,.2397;-3.8439,-.3428,1.1034;-8.5365,-5.9482,2.4424;-9.8053,-6.863,1.6189;-8.647,-7.6991,2.6619;-2.8718,.3973,5.1383;-2.4675,.3318,3.411;-4.1058,-.1213,3.974;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2032419 0.1227036 0.0941160</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.071064" y3="-0.670821" z3="-1.769515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.419183" y3="-1.90488" z3="4.542817">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.032722" y3="-2.737539" z3="2.041401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.743513" y3="-5.750834" z3="0.068211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.913944" y3="-4.604815" z3="1.636126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.221001" y3="-4.776105" z3="4.15002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.594579" y3="-4.977663" z3="-3.126653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.458041" y3="-4.183954" z3="-2.450536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.127944" y3="-3.519477" z3="-1.471563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.127422" y3="-6.353818" z3="-1.6163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.326696" y3="-4.696446" z3="-1.499992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.615295" y3="-6.196311" z3="-1.363371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.326362" y3="-5.391396" z3="-2.786368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.250707" y3="-3.47615" z3="0.825167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.226176" y3="-2.79131" z3="-0.203045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.555328" y3="-4.944275" z3="1.222205">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-8.046887" y3="-6.03262" z3="-0.420222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.701119" y3="-5.067672" z3="2.228009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.938618" y3="-4.412485" z3="-2.086439">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.356138" y3="-4.239715" z3="3.481549">
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                           <atom elementType="C" id="a21" x3="-3.035994" y3="-2.801021" z3="3.06976">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.076023" y3="-3.401156" z3="-3.677602">
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                           <atom elementType="C" id="a24" x3="-7.891071" y3="-6.984592" z3="0.772524">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.888069" y3="-0.324397" z3="0.653676">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.922251" y3="-6.726791" z3="1.876606">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-3.007215" y3="-0.19627" z3="4.254898">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.689168" y3="-6.675831" z3="0.347268">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-5.64223" y3="-4.775486" z3="2.249059">
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                           <atom elementType="H" id="a30" x3="-2.489718" y3="-5.595031" z3="4.588306">
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                           <atom elementType="H" id="a31" x3="-7.022865" y3="-3.551654" z3="-1.880751">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.342413" y3="-7.372779" z3="-1.955089">
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                           <atom elementType="H" id="a34" x3="-5.492673" y3="-4.19207" z3="-0.552896">
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                           <atom elementType="H" id="a59" x3="-2.824654" y3="0.336762" z3="5.190456">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0711,-.6708,-1.7695;-2.4192,-1.9049,4.5428;-2.0327,-2.7375,2.0414;-2.7435,-5.7508,.0682;-4.9139,-4.6048,1.6361;-2.221,-4.7761,4.15;-3.5946,-4.9777,-3.1267;-6.458,-4.184,-2.4505;-3.1279,-3.5195,-1.4716;-7.1274,-6.3538,-1.6163;-5.3267,-4.6964,-1.5;-5.6153,-6.1963,-1.3634;-7.3264,-5.3914,-2.7864;-2.2507,-3.4762,.8252;-3.2262,-2.7913,-.203;-2.5553,-4.9443,1.2222;-8.0469,-6.0326,-.4202;-3.7011,-5.0677,2.228;-3.9386,-4.4125,-2.0864;-3.3561,-4.2397,3.4815;-3.036,-2.801,3.0698;-2.8699,-1.3076,-.5007;-6.076,-3.4012,-3.6776;-7.8911,-6.9846,.7725;-2.8881,-.3244,.6537;-8.9223,-6.7268,1.8766;-3.0072,-.1963,4.2549;-2.6892,-6.6758,.3473;-5.6422,-4.7755,2.2491;-2.4897,-5.595,4.5883;-7.0229,-3.5517,-1.8808;-2.2306,-3.4506,-1.941;-7.3424,-7.3728,-1.9551;-5.4927,-4.1921,-.5529;-5.2851,-6.5448,-.3866;-5.0541,-6.7309,-2.1346;-8.3487,-5.0447,-2.9449;-6.9304,-5.8033,-3.716;-1.2644,-3.4789,.3482;-4.2489,-2.8377,.1654;-1.6592,-5.2656,1.7677;-7.8975,-4.9983,-.0775;-9.0827,-6.081,-.7802;-3.7955,-6.1254,2.5157;-4.2275,-4.2105,4.1499;-3.9629,-2.3226,2.7362;-1.91,-1.2643,-1.021;-5.5469,-2.5008,-3.368;-5.4396,-4.0236,-4.299;-6.9982,-3.1369,-4.1937;-7.983,-8.0202,.4197;-6.8834,-6.8888,1.1941;-2.094,-.5778,1.3544;-2.7235,.6885,.2806;-3.8472,-.347,1.1781;-8.8118,-5.7234,2.3032;-9.9446,-6.8115,1.4914;-8.8127,-7.4481,2.6925;-2.8247,.3368,5.1905;-2.458,.2989,3.4543;-4.0788,-.18,4.0464;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2047260 0.1207617 0.0941785</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.061853" y3="-0.687753" z3="-1.782146">
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                           <atom elementType="O" id="a5" x3="-4.93656" y3="-4.526324" z3="1.644354">
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                           <atom elementType="O" id="a6" x3="-2.27015" y3="-4.754082" z3="4.177811">
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                           <atom elementType="O" id="a7" x3="-3.600497" y3="-4.976296" z3="-3.111388">
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                           <atom elementType="N" id="a8" x3="-6.458536" y3="-4.157423" z3="-2.454097">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.229314" y3="-3.473405" z3="-1.912374">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.359281" y3="-7.347729" z3="-2.00532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.514277" y3="-4.190118" z3="-0.546749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.296508" y3="-6.551148" z3="-0.415385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.074908" y3="-6.70999" z3="-2.166352">
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                           <atom elementType="H" id="a37" x3="-8.378624" y3="-4.982133" z3="-2.902092">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-6.99701" y3="-5.753037" z3="-3.723907">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.275471" y3="-3.500024" z3="0.348031">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.255965" y3="-2.830669" z3="0.182733">
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                           <atom elementType="H" id="a41" x3="-1.699724" y3="-5.257852" z3="1.814326">
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                           <atom elementType="H" id="a42" x3="-7.854469" y3="-5.082363" z3="0.01535">
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                           <atom elementType="H" id="a43" x3="-9.090465" y3="-6.050275" z3="-0.766108">
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                           <atom elementType="H" id="a45" x3="-4.257045" y3="-4.118727" z3="4.159243">
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                           <atom elementType="H" id="a46" x3="-3.920471" y3="-2.244448" z3="2.743991">
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                           <atom elementType="H" id="a58" x3="-8.80012" y3="-7.640878" z3="2.629275">
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                           <atom elementType="H" id="a59" x3="-2.666699" y3="0.384395" z3="5.173583">
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                           <atom elementType="H" id="a60" x3="-2.328618" y3="0.313769" z3="3.432948">
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                           <atom elementType="H" id="a61" x3="-3.956972" y3="-0.096783" z3="4.054544">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0619,-.6878,-1.7821;-2.3559,-1.8786,4.5439;-2.0122,-2.7332,2.0439;-2.7804,-5.7598,.1171;-4.9366,-4.5263,1.6444;-2.2702,-4.7541,4.1778;-3.6005,-4.9763,-3.1114;-6.4585,-4.1574,-2.4541;-3.1331,-3.5235,-1.4524;-7.145,-6.3407,-1.6326;-5.3424,-4.6835,-1.4989;-5.6315,-6.1869,-1.3852;-7.3583,-5.3481,-2.7769;-2.256,-3.4757,.836;-3.2327,-2.7883,-.1884;-2.5855,-4.9327,1.2548;-8.0511,-6.0752,-.4134;-3.7422,-5.0131,2.2529;-3.9504,-4.4046,-2.077;-3.3815,-4.1822,3.4988;-3.0111,-2.7574,3.0769;-2.8698,-1.3098,-.498;-6.049,-3.4034,-3.6861;-7.928,-7.1247,.6988;-2.8897,-.309,.642;-8.905,-6.8776,1.8517;-2.8839,-.1522,4.2475;-2.7333,-6.6796,.4137;-5.6722,-4.6639,2.2573;-2.5795,-5.5367,4.6547;-7.0041,-3.4999,-1.8963;-2.2293,-3.4734,-1.9124;-7.3593,-7.3477,-2.0053;-5.5143,-4.1901,-.5467;-5.2965,-6.5511,-.4154;-5.0749,-6.71,-2.1664;-8.3786,-4.9821,-2.9021;-6.997,-5.753,-3.7239;-1.2755,-3.5,.348;-4.256,-2.8307,.1827;-1.6997,-5.2579,1.8143;-7.8545,-5.0824,.0154;-9.0905,-6.0503,-.7661;-3.8644,-6.0643,2.5539;-4.257,-4.1187,4.1592;-3.9205,-2.2444,2.744;-1.9056,-1.276,-1.0119;-5.4828,-2.5235,-3.3833;-5.44,-4.0548,-4.3069;-6.9617,-3.1071,-4.2022;-8.1031,-8.1229,.2761;-6.9034,-7.1296,1.0901;-2.1056,-.5619,1.3543;-2.7055,.695,.2543;-3.8549,-.3098,1.1554;-8.7287,-5.9009,2.3158;-9.9433,-6.8961,1.5019;-8.8001,-7.6409,2.6293;-2.6667,.3844,5.1736;-2.3286,.3138,3.4329;-3.957,-.0968,4.0545;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2056228 0.1198980 0.0929565</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.931688" y3="-0.711934" z3="-1.859885">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.841468" y3="-5.784758" z3="0.1439">
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                           <atom elementType="O" id="a5" x3="-4.996387" y3="-4.497772" z3="1.636674">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.360297" y3="-4.734125" z3="4.201089">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.569388" y3="-4.999559" z3="-3.140123">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.435645" y3="-4.098335" z3="-2.422847">
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                           <atom elementType="N" id="a9" x3="-3.095665" y3="-3.564997" z3="-1.467804">
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                           <atom elementType="C" id="a11" x3="-5.31334" y3="-4.706993" z3="-1.527007">
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                           <atom elementType="C" id="a12" x3="-5.646141" y3="-6.20197" z3="-1.482249">
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                           <atom elementType="C" id="a14" x3="-2.278139" y3="-3.507355" z3="0.851907">
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                           <atom elementType="C" id="a15" x3="-3.208821" y3="-2.815162" z3="-0.213788">
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                           <atom elementType="C" id="a16" x3="-2.646588" y3="-4.952921" z3="1.278677">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-7.985568" y3="-6.050531" z3="-0.349138">
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                           <atom elementType="C" id="a18" x3="-3.817898" y3="-5.003641" z3="2.262427">
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                           <atom elementType="C" id="a19" x3="-3.917995" y3="-4.433945" z3="-2.102081">
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                           <atom elementType="C" id="a20" x3="-3.461399" y3="-4.163656" z3="3.503875">
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                           <atom elementType="C" id="a21" x3="-3.077564" y3="-2.748509" z3="3.066335">
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                           <atom elementType="C" id="a22" x3="-2.803867" y3="-1.347567" z3="-0.526761">
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                           <atom elementType="C" id="a23" x3="-6.026242" y3="-3.373143" z3="-3.674598">
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                           <atom elementType="C" id="a24" x3="-7.841274" y3="-7.17152" z3="0.688261">
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                           <atom elementType="C" id="a25" x3="-2.846789" y3="-0.338971" z3="0.605818">
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                           <atom elementType="C" id="a26" x3="-8.72957" y3="-6.958803" z3="1.918158">
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                           <atom elementType="H" id="a33" x3="-7.454907" y3="-7.263071" z3="-2.047687">
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                           <atom elementType="H" id="a34" x3="-5.448922" y3="-4.2634" z3="-0.544682">
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                           <atom elementType="H" id="a44" x3="-3.96584" y3="-6.049006" z3="2.571243">
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                           <atom elementType="H" id="a47" x3="-1.821086" y3="-1.338878" z3="-1.004622">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.405079" y3="-2.522204" z3="-3.399053">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.472101" y3="-4.060147" z3="-4.307931">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a50" x3="-6.936116" y3="-3.030303" z3="-4.165937">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-6.795203" y3="-7.249389" z3="1.008831">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.088132" y3="-0.596497" z3="1.343318">
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                           </atom>
                           <atom elementType="H" id="a54" x3="-2.640398" y3="0.661067" z3="0.219197">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.827167" y3="-0.325878" z3="1.089616">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.470056" y3="-6.031778" z3="2.441732">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.786769" y3="-6.895611" z3="1.637039">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.62228" y3="-7.783567" z3="2.629695">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a59" x3="-2.80132" y3="0.419615" z3="5.133047">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-2.413762" y3="0.339205" z3="3.403135">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.054915" y3="-0.082754" z3="3.981917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.9317,-.7119,-1.8599;-2.4516,-1.8448,4.531;-2.0556,-2.7485,2.0545;-2.8415,-5.7848,.1439;-4.9964,-4.4978,1.6367;-2.3603,-4.7341,4.2011;-3.5694,-4.9996,-3.1401;-6.4356,-4.0983,-2.4228;-3.0957,-3.565,-1.4678;-7.1765,-6.2856,-1.6398;-5.3133,-4.707,-1.527;-5.6461,-6.202,-1.4822;-7.428,-5.2246,-2.7133;-2.2781,-3.5074,.8519;-3.2088,-2.8152,-.2138;-2.6466,-4.9529,1.2787;-7.9856,-6.0505,-.3491;-3.8179,-5.0036,2.2624;-3.918,-4.4339,-2.1021;-3.4614,-4.1637,3.5039;-3.0776,-2.7485,3.0663;-2.8039,-1.3476,-.5268;-6.0262,-3.3731,-3.6746;-7.8413,-7.1715,.6883;-2.8468,-.339,.6058;-8.7296,-6.9588,1.9182;-2.9871,-.1257,4.2052;-2.8043,-6.7033,.4459;-5.7425,-4.6163,2.2407;-2.6813,-5.5005,4.6955;-6.9133,-3.4082,-1.8412;-2.1897,-3.5145,-1.9228;-7.4549,-7.2631,-2.0477;-5.4489,-4.2634,-.5447;-5.272,-6.6316,-.5539;-5.1503,-6.6995,-2.32;-8.432,-4.7984,-2.7235;-7.1825,-5.5982,-3.7083;-1.2838,-3.5569,.3946;-4.2421,-2.8292,.1282;-1.7761,-5.2935,1.8527;-7.7073,-5.0943,.1153;-9.0436,-5.9567,-.6261;-3.9658,-6.049,2.5712;-4.3414,-4.0851,4.1563;-3.9783,-2.2404,2.7056;-1.8211,-1.3389,-1.0046;-5.4051,-2.5222,-3.3991;-5.4721,-4.0601,-4.3079;-6.9361,-3.0303,-4.1659;-8.0912,-8.1308,.2162;-6.7952,-7.2494,1.0088;-2.0881,-.5965,1.3433;-2.6404,.6611,.2192;-3.8272,-.3259,1.0896;-8.4701,-6.0318,2.4417;-9.7868,-6.8956,1.637;-8.6223,-7.7836,2.6297;-2.8013,.4196,5.133;-2.4138,.3392,3.4031;-4.0549,-.0828,3.9819;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2037802 0.1223262 0.0935242</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-3.730426" y3="-0.93746" z3="-1.912015">
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                           <atom elementType="S" id="a2" x3="-2.932353" y3="-1.709715" z3="4.408009">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="-2.178519" y3="-2.809786" z3="2.07349">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.535929" y3="-6.040798" z3="0.362341">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a5" x3="-4.941597" y3="-4.914516" z3="1.647229">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.495731" y3="-4.57439" z3="4.383263">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.55047" y3="-5.119646" z3="-3.163955">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.529857" y3="-3.892202" z3="-2.388261">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a9" x3="-2.978663" y3="-3.746635" z3="-1.503496">
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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 elementType="C" id="a11" x3="-5.299612" y3="-4.613412" z3="-1.616931">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.698323" y3="-6.083165" z3="-1.568523">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-7.558662" y3="-5.002132" z3="-2.657441">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a14" x3="-2.230767" y3="-3.665599" z3="0.922883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.099509" y3="-3.019972" z3="-0.250532">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-2.509932" y3="-5.102448" z3="1.429878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-7.843303" y3="-5.843618" z3="-0.292008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-3.750124" y3="-5.214135" z3="2.346033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.856404" y3="-4.51642" z3="-2.151211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.590958" y3="-4.220051" z3="3.528936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.313737" y3="-2.820503" z3="2.995484">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.65086" y3="-1.578373" z3="-0.558748">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.320416" y3="-3.045279" z3="-3.662717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.597449" y3="-7.034149" z3="0.645625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.729906" y3="-0.602244" z3="0.623521">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.298181" y3="-6.857523" z3="2.013145">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-3.539594" y3="-0.07887" z3="3.827137">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.424048" y3="-6.919357" z3="0.752079">
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                           <atom elementType="H" id="a29" x3="-5.684588" y3="-5.107148" z3="2.243311">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="-2.763878" y3="-5.303941" z3="4.945633">
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                           <atom elementType="H" id="a31" x3="-6.917553" y3="-3.195585" z3="-1.686719">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.042062" y3="-3.756404" z3="-1.902635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.580242" y3="-7.028756" z3="-2.053369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.318291" y3="-4.184323" z3="-0.629134">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.328371" y3="-6.557415" z3="-0.660066">
                              <property dictRef="g:atomicType">
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                           <atom elementType="H" id="a36" x3="-5.23091" y3="-6.580386" z3="-2.432349">
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                           <atom elementType="H" id="a37" x3="-8.554005" y3="-4.591177" z3="-2.550532">
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                           <atom elementType="H" id="a38" x3="-7.422845" y3="-5.34273" z3="-3.675881">
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                           <atom elementType="H" id="a43" x3="-8.924156" y3="-5.698525" z3="-0.393621">
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                           <atom elementType="H" id="a44" x3="-3.810603" y3="-6.249615" z3="2.732599">
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                           <atom elementType="H" id="a45" x3="-4.521871" y3="-4.178224" z3="4.10634">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a46" x3="-4.213085" y3="-2.440985" z3="2.515374">
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                              </property>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-2.909046" y3="0.331082" z3="3.048499">
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                           <atom elementType="H" id="a61" x3="-4.57387" y3="-0.146065" z3="3.474574">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
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                  </module>
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                  </module>
               </module>
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                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.010883" y3="-0.717081" z3="-1.80681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.42442" y3="-1.877825" z3="4.542425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.026143" y3="-2.742759" z3="2.053024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.727012" y3="-5.783613" z3="0.119704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.913452" y3="-4.591976" z3="1.637781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.25316" y3="-4.758218" z3="4.183017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.610463" y3="-4.981386" z3="-3.123419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.472199" y3="-4.141126" z3="-2.453094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.114237" y3="-3.549797" z3="-1.456082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.15173" y3="-6.31938" z3="-1.628102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.343526" y3="-4.670502" z3="-1.50807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.638116" y3="-6.171603" z3="-1.38203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.365396" y3="-5.334385" z3="-2.777707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.239833" y3="-3.492525" z3="0.844263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.207932" y3="-2.811271" z3="-0.194979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.552325" y3="-4.95519" z3="1.259329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.045634" y3="-6.034908" z3="-0.407488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.713867" y3="-5.056171" z3="2.251978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.948151" y3="-4.409932" z3="-2.08537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.37658" y3="-4.214942" z3="3.498716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.038873" y3="-2.784311" z3="3.074185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.834031" y3="-1.337079" z3="-0.510177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.080706" y3="-3.367151" z3="-3.680818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.922198" y3="-7.07717" z3="0.711527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.859323" y3="-0.332424" z3="0.627833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.885123" y3="-6.810227" z3="1.873088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-2.995006" y3="-0.168231" z3="4.226121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-2.673846" y3="-6.703102" z3="0.416383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-5.651966" y3="-4.750513" z3="2.242582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.547304" y3="-5.535516" z3="4.676506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-7.021674" y3="-3.49586" z3="-1.880715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.210355" y3="-3.50844" z3="-1.916669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.372867" y3="-7.328351" z3="-1.992319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.502197" y3="-4.171565" z3="-0.557426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.308042" y3="-6.526648" z3="-0.406765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-5.079369" y3="-6.706247" z3="-2.154448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.387189" y3="-4.974049" z3="-2.901965">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-7.005325" y3="-5.7394" z3="-3.72433">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.251823" y3="-3.503817" z3="0.370788">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a40" x3="-4.230945" y3="-2.844108" z3="0.17251">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a41" x3="-1.664938" y3="-5.267238" z3="1.82341">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="-7.832277" y3="-5.039918" z3="0.008078">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-9.088227" y3="-6.001528" z3="-0.749464">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a44" x3="-3.819167" y3="-6.109057" z3="2.554187">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-4.254618" y3="-4.170255" z3="4.156755">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a46" x3="-3.956411" y3="-2.297367" z3="2.727077">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="-1.865198" y3="-1.311846" z3="-1.015206">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.518287" y3="-2.486359" z3="-3.375123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.472964" y3="-4.004435" z3="-4.316277">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-6.998878" y3="-3.069865" z3="-4.186321">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.112867" y3="-8.075393" z3="0.296234">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-6.893714" y3="-7.092924" z3="1.092823">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.078434" y3="-0.583027" z3="1.344833">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a54" x3="-2.67399" y3="0.670675" z3="0.238616">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.826891" y3="-0.331579" z3="1.136312">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.694127" y3="-5.831762" z3="2.328144">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-9.927091" y3="-6.820232" z3="1.534317">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.781296" y3="-7.567665" z3="2.656103">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.811509" y3="0.379023" z3="5.153278">
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                           </atom>
                           <atom elementType="H" id="a60" x3="-2.436858" y3="0.308706" z3="3.420602">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.065196" y3="-0.144499" z3="4.011072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0109,-.7171,-1.8068;-2.4244,-1.8778,4.5424;-2.0261,-2.7428,2.053;-2.727,-5.7836,.1197;-4.9135,-4.592,1.6378;-2.2532,-4.7582,4.183;-3.6105,-4.9814,-3.1234;-6.4722,-4.1411,-2.4531;-3.1142,-3.5498,-1.4561;-7.1517,-6.3194,-1.6281;-5.3435,-4.6705,-1.5081;-5.6381,-6.1716,-1.382;-7.3654,-5.3344,-2.7777;-2.2398,-3.4925,.8443;-3.2079,-2.8113,-.195;-2.5523,-4.9552,1.2593;-8.0456,-6.0349,-.4075;-3.7139,-5.0562,2.252;-3.9482,-4.4099,-2.0854;-3.3766,-4.2149,3.4987;-3.0389,-2.7843,3.0742;-2.834,-1.3371,-.5102;-6.0807,-3.3672,-3.6808;-7.9222,-7.0772,.7115;-2.8593,-.3324,.6278;-8.8851,-6.8102,1.8731;-2.995,-.1682,4.2261;-2.6738,-6.7031,.4164;-5.652,-4.7505,2.2426;-2.5473,-5.5355,4.6765;-7.0217,-3.4959,-1.8807;-2.2104,-3.5084,-1.9167;-7.3729,-7.3284,-1.9923;-5.5022,-4.1716,-.5574;-5.308,-6.5266,-.4068;-5.0794,-6.7062,-2.1544;-8.3872,-4.974,-2.902;-7.0053,-5.7394,-3.7243;-1.2518,-3.5038,.3708;-4.2309,-2.8441,.1725;-1.6649,-5.2672,1.8234;-7.8323,-5.0399,.0081;-9.0882,-6.0015,-.7495;-3.8192,-6.1091,2.5542;-4.2546,-4.1703,4.1568;-3.9564,-2.2974,2.7271;-1.8652,-1.3118,-1.0152;-5.5183,-2.4864,-3.3751;-5.473,-4.0044,-4.3163;-6.9989,-3.0699,-4.1863;-8.1129,-8.0754,.2962;-6.8937,-7.0929,1.0928;-2.0784,-.583,1.3448;-2.674,.6707,.2386;-3.8269,-.3316,1.1363;-8.6941,-5.8318,2.3281;-9.9271,-6.8202,1.5343;-8.7813,-7.5677,2.6561;-2.8115,.379,5.1533;-2.4369,.3087,3.4206;-4.0652,-.1445,4.0111;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2043647 0.1205970 0.0936048</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.036296" y3="-0.708942" z3="-1.784011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.425154" y3="-1.889402" z3="4.546501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.018489" y3="-2.74095" z3="2.05343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.700047" y3="-5.774537" z3="0.102752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.893189" y3="-4.615095" z3="1.630607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.233653" y3="-4.76694" z3="4.176677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.632042" y3="-4.961969" z3="-3.126881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.48289" y3="-4.154729" z3="-2.457678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.121034" y3="-3.541999" z3="-1.453559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.140937" y3="-6.331341" z3="-1.61907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.35385" y3="-4.65571" z3="-1.500685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.634417" y3="-6.157847" z3="-1.344902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.342654" y3="-5.368843" z3="-2.789763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.229347" y3="-3.484799" z3="0.840429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.206595" y3="-2.805492" z3="-0.190737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.529311" y3="-4.952421" z3="1.247235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.063588" y3="-6.038421" z3="-0.421759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.688007" y3="-5.068091" z3="2.242015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-3.962049" y3="-4.394506" z3="-2.083825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.359031" y3="-4.228435" z3="3.491966">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.03104" y3="-2.793802" z3="3.073482">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.838672" y3="-1.330451" z3="-0.507122">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.095892" y3="-3.369942" z3="-3.678528">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.941281" y3="-7.054137" z3="0.721524">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.848553" y3="-0.328941" z3="0.633389">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.926752" y3="-6.777988" z3="1.86149">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.999683" y3="-0.180892" z3="4.232297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.647251" y3="-6.695554" z3="0.394837">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-5.630698" y3="-4.789643" z3="2.232074">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.525524" y3="-5.543776" z3="4.672415">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-7.054221" y3="-3.525338" z3="-1.890523">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.217514" y3="-3.507252" z3="-1.915387">
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                           <atom elementType="H" id="a33" x3="-7.340387" y3="-7.349628" z3="-1.969484">
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                           <atom elementType="H" id="a34" x3="-5.517468" y3="-4.139544" z3="-0.560268">
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                           <atom elementType="H" id="a35" x3="-5.319902" y3="-6.485472" z3="-0.355035">
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                           <atom elementType="H" id="a40" x3="-4.226946" y3="-2.841217" z3="0.185044">
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                           <atom elementType="H" id="a58" x3="-8.81939" y3="-7.513205" z3="2.664986">
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                           <atom elementType="H" id="a59" x3="-2.822613" y3="0.3645" z3="5.161815">
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                           <atom elementType="H" id="a60" x3="-2.438954" y3="0.300015" z3="3.43083">
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                           <atom elementType="H" id="a61" x3="-4.068809" y3="-0.159999" z3="4.01192">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0363,-.7089,-1.784;-2.4252,-1.8894,4.5465;-2.0185,-2.741,2.0534;-2.7,-5.7745,.1028;-4.8932,-4.6151,1.6306;-2.2337,-4.7669,4.1767;-3.632,-4.962,-3.1269;-6.4829,-4.1547,-2.4577;-3.121,-3.542,-1.4536;-7.1409,-6.3313,-1.6191;-5.3539,-4.6557,-1.5007;-5.6344,-6.1578,-1.3449;-7.3427,-5.3688,-2.7898;-2.2293,-3.4848,.8404;-3.2066,-2.8055,-.1907;-2.5293,-4.9524,1.2472;-8.0636,-6.0384,-.4218;-3.688,-5.0681,2.242;-3.962,-4.3945,-2.0838;-3.359,-4.2284,3.492;-3.031,-2.7938,3.0735;-2.8387,-1.3305,-.5071;-6.0959,-3.3699,-3.6785;-7.9413,-7.0541,.7215;-2.8486,-.3289,.6334;-8.9268,-6.778,1.8615;-2.9997,-.1809,4.2323;-2.6473,-6.6956,.3948;-5.6307,-4.7896,2.2321;-2.5255,-5.5438,4.6724;-7.0542,-3.5253,-1.8905;-2.2175,-3.5073,-1.9154;-7.3404,-7.3496,-1.9695;-5.5175,-4.1395,-.5603;-5.3199,-6.4855,-.355;-5.0542,-6.7036,-2.093;-8.3673,-5.0307,-2.9488;-6.9475,-5.7809,-3.7193;-1.2425,-3.4844,.3643;-4.2269,-2.8412,.185;-1.638,-5.2607,1.8075;-7.8761,-5.0317,-.022;-9.1001,-6.0311,-.7832;-3.7818,-6.1227,2.5415;-4.2387,-4.1923,4.1484;-3.9518,-2.3118,2.7276;-1.8776,-1.3028,-1.0268;-5.5526,-2.48,-3.3646;-5.4705,-3.9941,-4.3102;-7.0152,-3.0882,-4.191;-8.1086,-8.0641,.325;-6.9188,-7.0447,1.1189;-2.0576,-.5809,1.3386;-2.6693,.6753,.244;-3.8089,-.3306,1.1555;-8.7618,-5.7846,2.2938;-9.963,-6.8179,1.5079;-8.8194,-7.5132,2.665;-2.8226,.3645,5.1618;-2.439,.3,3.4308;-4.0688,-.16,4.0119;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2044550 0.1203000 0.0936522</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.051376" y3="-0.705113" z3="-1.774738">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.669931" y3="-5.763705" z3="0.087525">
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                           <atom elementType="O" id="a5" x3="-4.872333" y3="-4.62834" z3="1.621393">
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                           <atom elementType="O" id="a6" x3="-2.211716" y3="-4.774811" z3="4.16555">
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.649027" y3="-4.949033" z3="-3.125172">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.49324" y3="-4.167497" z3="-2.455941">
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                           <atom elementType="N" id="a9" x3="-3.12484" y3="-3.538507" z3="-1.447677">
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                           <atom elementType="C" id="a13" x3="-7.319576" y3="-5.4011" z3="-2.796306">
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                           <atom elementType="C" id="a14" x3="-2.217929" y3="-3.473893" z3="0.837742">
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                           </atom>
                           <atom elementType="C" id="a16" x3="-2.505889" y3="-4.946109" z3="1.236035">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.075198" y3="-6.038733" z3="-0.430272">
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                           <atom elementType="C" id="a18" x3="-3.663353" y3="-5.075723" z3="2.230362">
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                           <atom elementType="C" id="a20" x3="-3.341338" y3="-4.240639" z3="3.484472">
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                           <atom elementType="C" id="a21" x3="-3.02443" y3="-2.801321" z3="3.073084">
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                           <atom elementType="C" id="a22" x3="-2.842057" y3="-1.323127" z3="-0.506974">
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                           <atom elementType="C" id="a23" x3="-6.113174" y3="-3.369063" z3="-3.669316">
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                           <atom elementType="C" id="a24" x3="-7.970224" y3="-7.042842" z3="0.725219">
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                           <atom elementType="C" id="a25" x3="-2.843376" y3="-0.321338" z3="0.633179">
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                           <atom elementType="H" id="a31" x3="-7.085275" y3="-3.555155" z3="-1.892594">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.218616" y3="-3.518649" z3="-1.905029">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.310174" y3="-7.368434" z3="-1.942962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.528585" y3="-4.109544" z3="-0.559868">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.329958" y3="-6.4458" z3="-0.305436">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.028814" y3="-6.700132" z3="-2.032447">
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                           <atom elementType="H" id="a37" x3="-8.346118" y3="-5.084955" z3="-2.987115">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-6.89117" y3="-5.817104" z3="-3.709328">
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                           <atom elementType="H" id="a39" x3="-1.231895" y3="-3.461237" z3="0.360021">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.221212" y3="-2.838404" z3="0.198331">
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                           <atom elementType="H" id="a41" x3="-1.612141" y3="-5.250183" z3="1.795066">
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                           <atom elementType="H" id="a42" x3="-7.896896" y3="-5.02746" z3="-0.037628">
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                           <atom elementType="H" id="a43" x3="-9.104995" y3="-6.039211" z3="-0.810335">
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                           <atom elementType="H" id="a44" x3="-3.748896" y3="-6.13226" z3="2.524815">
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                           <atom elementType="H" id="a46" x3="-3.948844" y3="-2.325501" z3="2.72771">
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                           <atom elementType="H" id="a56" x3="-8.828337" y3="-5.76317" z3="2.268882">
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                           <atom elementType="H" id="a57" x3="-10.007821" y3="-6.811917" z3="1.470185">
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                           <atom elementType="H" id="a58" x3="-8.882088" y3="-7.488465" z3="2.655756">
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                           <atom elementType="H" id="a59" x3="-2.824567" y3="0.35537" z3="5.164021">
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                           <atom elementType="H" id="a60" x3="-2.429537" y3="0.288407" z3="3.435334">
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                           <atom elementType="H" id="a61" x3="-4.06464" y3="-0.165775" z3="4.006422">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0514,-.7051,-1.7747;-2.43,-1.9,4.5522;-2.0113,-2.736,2.0552;-2.6699,-5.7637,.0875;-4.8723,-4.6283,1.6214;-2.2117,-4.7748,4.1655;-3.649,-4.949,-3.1252;-6.4932,-4.1675,-2.4559;-3.1248,-3.5385,-1.4477;-7.1289,-6.342,-1.6069;-5.363,-4.6412,-1.4917;-5.6292,-6.1447,-1.3081;-7.3196,-5.4011,-2.7963;-2.2179,-3.4739,.8377;-3.204,-2.7987,-.1864;-2.5059,-4.9461,1.236;-8.0752,-6.0387,-.4303;-3.6634,-5.0757,2.2304;-3.9737,-4.3816,-2.0799;-3.3413,-4.2406,3.4845;-3.0244,-2.8013,3.0731;-2.8421,-1.3231,-.507;-6.1132,-3.3691,-3.6693;-7.9702,-7.0428,.7252;-2.8434,-.3213,.6332;-8.9788,-6.7617,1.8432;-2.997,-.19,4.2337;-2.6137,-6.6857,.3761;-5.6096,-4.8189,2.218;-2.5012,-5.5486,4.6677;-7.0853,-3.5552,-1.8926;-2.2186,-3.5186,-1.905;-7.3102,-7.3684,-1.943;-5.5286,-4.1095,-.5599;-5.33,-6.4458,-.3054;-5.0288,-6.7001,-2.0324;-8.3461,-5.085,-2.9871;-6.8912,-5.8171,-3.7093;-1.2319,-3.4612,.36;-4.2212,-2.8384,.1983;-1.6121,-5.2502,1.7951;-7.8969,-5.0275,-.0376;-9.105,-6.0392,-.8103;-3.7489,-6.1323,2.5248;-4.2214,-4.2152,4.1409;-3.9488,-2.3255,2.7277;-1.8853,-1.2946,-1.0344;-5.5822,-2.4746,-3.347;-5.4776,-3.9806,-4.3035;-7.0344,-3.0951,-4.1825;-8.125,-8.0571,.3343;-6.9557,-7.0249,1.1418;-2.0474,-.5729,1.3331;-2.6677,.6829,.2422;-3.7997,-.3236,1.1627;-8.8283,-5.7632,2.2689;-10.0078,-6.8119,1.4702;-8.8821,-7.4885,2.6558;-2.8246,.3554,5.164;-2.4295,.2884,3.4353;-4.0646,-.1658,4.0064;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2043212 0.1200248 0.0936564</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.039156" y3="-0.706366" z3="-1.783296">
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                           <atom elementType="O" id="a4" x3="-2.680978" y3="-5.767408" z3="0.092999">
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                           <atom elementType="O" id="a5" x3="-4.880539" y3="-4.622606" z3="1.623416">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-2.223655" y3="-4.767626" z3="4.172243">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a7" x3="-3.640907" y3="-4.95772" z3="-3.125613">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.48774" y3="-4.158571" z3="-2.450786">
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                           <atom elementType="C" id="a11" x3="-5.358662" y3="-4.649532" z3="-1.494962">
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                           <atom elementType="C" id="a14" x3="-2.220674" y3="-3.477604" z3="0.838565">
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                           <atom elementType="C" id="a15" x3="-3.20304" y3="-2.801878" z3="-0.189235">
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                           <atom elementType="C" id="a16" x3="-2.514455" y3="-4.947776" z3="1.239947">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.068595" y3="-6.035316" z3="-0.42143">
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                           <atom elementType="C" id="a18" x3="-3.672549" y3="-5.071536" z3="2.234044">
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                           <atom elementType="C" id="a19" x3="-3.968128" y3="-4.389671" z3="-2.08147">
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                           <atom elementType="C" id="a20" x3="-3.350216" y3="-4.233336" z3="3.486212">
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                           <atom elementType="C" id="a21" x3="-3.028998" y3="-2.796112" z3="3.070655">
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                           <atom elementType="C" id="a22" x3="-2.837379" y3="-1.32677" z3="-0.510046">
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                           <atom elementType="C" id="a23" x3="-6.10086" y3="-3.366232" z3="-3.666529">
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                           <atom elementType="C" id="a24" x3="-7.962008" y3="-7.055088" z3="0.720176">
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                           <atom elementType="C" id="a25" x3="-2.84205" y3="-0.324567" z3="0.629759">
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                           <atom elementType="C" id="a26" x3="-8.955995" y3="-6.779096" z3="1.852451">
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                           <atom elementType="H" id="a33" x3="-7.331847" y3="-7.355853" z3="-1.956501">
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                           <atom elementType="H" id="a34" x3="-5.519063" y3="-4.128247" z3="-0.556151">
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                           <atom elementType="H" id="a44" x3="-3.761445" y3="-6.127162" z3="2.530596">
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                           <atom elementType="H" id="a56" x3="-8.79037" y3="-5.789031" z3="2.292123">
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.859583" y3="-7.519322" z3="2.652867">
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                           <atom elementType="H" id="a59" x3="-2.83641" y3="0.363419" z3="5.157869">
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                           <atom elementType="H" id="a60" x3="-2.438939" y3="0.296551" z3="3.429632">
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                           <atom elementType="H" id="a61" x3="-4.073612" y3="-0.16147" z3="3.998929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0392,-.7064,-1.7833;-2.4352,-1.8912,4.5477;-2.0138,-2.7371,2.0544;-2.681,-5.7674,.093;-4.8805,-4.6226,1.6234;-2.2237,-4.7676,4.1722;-3.6409,-4.9577,-3.1256;-6.4877,-4.1586,-2.4508;-3.1216,-3.5442,-1.4489;-7.1379,-6.3346,-1.612;-5.3587,-4.6495,-1.495;-5.6336,-6.1531,-1.3269;-7.334,-5.3797,-2.7894;-2.2207,-3.4776,.8386;-3.203,-2.8019,-.1892;-2.5145,-4.9478,1.2399;-8.0686,-6.0353,-.4214;-3.6725,-5.0715,2.234;-3.9681,-4.3897,-2.0815;-3.3502,-4.2333,3.4862;-3.029,-2.7961,3.0707;-2.8374,-1.3268,-.51;-6.1009,-3.3662,-3.6665;-7.962,-7.0551,.7202;-2.842,-.3246,.6298;-8.956,-6.7791,1.8525;-3.0062,-.1828,4.2275;-2.6199,-6.6888,.3824;-5.6177,-4.8078,2.2218;-2.5161,-5.5393,4.676;-7.0677,-3.5374,-1.8844;-2.2144,-3.5245,-1.9043;-7.3318,-7.3559,-1.9565;-5.5191,-4.1282,-.5562;-5.3273,-6.4684,-.3308;-5.0443,-6.7042,-2.0636;-8.3593,-5.0493,-2.9618;-6.9241,-5.792,-3.7125;-1.2336,-3.4698,.3628;-4.2212,-2.8394,.1933;-1.6223,-5.2543,1.8001;-7.8747,-5.0306,-.0194;-9.1024,-6.0205,-.7901;-3.7614,-6.1272,2.5306;-4.2313,-4.2035,4.1411;-3.9516,-2.3194,2.7218;-1.8783,-1.3003,-1.0333;-5.5576,-2.4782,-3.347;-5.4749,-3.9869,-4.3015;-7.0198,-3.081,-4.1777;-8.1317,-8.0624,.3176;-6.943,-7.0536,1.1261;-2.0478,-.5755,1.3317;-2.6662,.6798,.2392;-3.7996,-.3273,1.157;-8.7904,-5.789,2.2921;-9.9892,-6.812,1.4892;-8.8596,-7.5193,2.6529;-2.8364,.3634,5.1579;-2.4389,.2966,3.4296;-4.0736,-.1615,3.9989;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041577 0.1202235 0.0936721</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.038326" y3="-0.705659" z3="-1.784662">
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                           <atom elementType="O" id="a4" x3="-2.676761" y3="-5.766602" z3="0.090093">
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                           <atom elementType="O" id="a5" x3="-4.876573" y3="-4.624413" z3="1.62242">
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                           <atom elementType="O" id="a6" x3="-2.21688" y3="-4.769548" z3="4.168474">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a7" x3="-3.641674" y3="-4.9578" z3="-3.125349">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.48838" y3="-4.161835" z3="-2.450569">
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                           <atom elementType="C" id="a14" x3="-2.218842" y3="-3.476439" z3="0.836858">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.202929" y3="-2.801097" z3="-0.189589">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-2.510547" y3="-4.947323" z3="1.237401">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.071365" y3="-6.035468" z3="-0.424402">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.667704" y3="-5.073175" z3="2.23196">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.968284" y3="-4.389318" z3="-2.081178">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.345092" y3="-4.235934" z3="3.484613">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.026156" y3="-2.797746" z3="3.070112">
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                           <atom elementType="C" id="a22" x3="-2.838653" y3="-1.325374" z3="-0.509558">
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                           <atom elementType="C" id="a23" x3="-6.104378" y3="-3.36598" z3="-3.665022">
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                           <atom elementType="C" id="a24" x3="-7.967449" y3="-7.050262" z3="0.721827">
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                           <atom elementType="C" id="a25" x3="-2.846674" y3="-0.323802" z3="0.630772">
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                           <atom elementType="C" id="a26" x3="-8.964981" y3="-6.770648" z3="1.849978">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.32596" y3="-7.359975" z3="-1.952319">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.519223" y3="-4.124691" z3="-0.556118">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
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                        </property>
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                  </module>
               </module>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.032636" y3="-0.704608" z3="-1.788267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.427685" y3="-1.892941" z3="4.5464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.010518" y3="-2.736733" z3="2.05208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.679826" y3="-5.766669" z3="0.09045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.877455" y3="-4.620595" z3="1.623125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.21623" y3="-4.769397" z3="4.167398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.642786" y3="-4.957392" z3="-3.125618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.488864" y3="-4.162744" z3="-2.448921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.121841" y3="-3.543213" z3="-1.449747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.133888" y3="-6.338924" z3="-1.61036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.358632" y3="-4.648375" z3="-1.492403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.631343" y3="-6.152308" z3="-1.318975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.327229" y3="-5.387849" z3="-2.791152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.219076" y3="-3.476414" z3="0.836093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202811" y3="-2.800377" z3="-0.190476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.512019" y3="-4.946919" z3="1.237266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.071817" y3="-6.037597" z3="-0.42546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.668872" y3="-5.071265" z3="2.232257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.96878" y3="-4.38913" z3="-2.081236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.344553" y3="-4.234398" z3="3.484663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.024338" y3="-2.796494" z3="3.069933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.83713" y3="-1.324972" z3="-0.510157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.106286" y3="-3.364265" z3="-3.662399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.969796" y3="-7.052819" z3="0.720405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.847563" y3="-0.32357" z3="0.630426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.968645" y3="-6.773381" z3="1.847454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-3.002342" y3="-0.18483" z3="4.230787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-2.607494" y3="-6.687725" z3="0.378181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-5.614509" y3="-4.809586" z3="2.220488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.508972" y3="-5.536622" z3="4.677674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-7.073973" y3="-3.546887" z3="-1.881889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.214879" y3="-3.523796" z3="-1.905613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-7.323904" y3="-7.36169" z3="-1.952419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-5.5191" y3="-4.1250" z3="-0.554856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.328363" y3="-6.462586" z3="-0.320333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-5.038149" y3="-6.705214" z3="-2.051064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="-8.352927" y3="-5.062582" z3="-2.970645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a38" x3="-6.909251" y3="-5.800161" z3="-3.710741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a39" x3="-1.232682" y3="-3.468492" z3="0.358929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-4.220735" y3="-2.83831" z3="0.192962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a41" x3="-1.619241" y3="-5.253246" z3="1.796476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a42" x3="-7.883005" y3="-5.030805" z3="-0.026184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-9.103429" y3="-6.026586" z3="-0.800359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.758219" y3="-6.127168" z3="2.527323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a45" x3="-4.224392" y3="-4.205709" z3="4.141093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-3.94743" y3="-2.319508" z3="2.722755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="-1.875392" y3="-1.298168" z3="-1.028577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-5.569586" y3="-2.473413" z3="-3.339688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-5.475446" y3="-3.979172" z3="-4.298108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-7.026873" y3="-3.084381" z3="-4.173439">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a51" x3="-8.137563" y3="-8.061696" z3="0.321001">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a52" x3="-6.952581" y3="-7.049531" z3="1.130729">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="-2.056514" y3="-0.574518" z3="1.335944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-2.670369" y3="0.681198" z3="0.241569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.807723" y3="-0.327101" z3="1.153053">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a56" x3="-8.804319" y3="-5.782656" z3="2.286151">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a57" x3="-10.000208" y3="-6.805903" z3="1.479546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-8.876592" y3="-7.512224" z3="2.649682">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.830816" y3="0.35987" z3="5.161718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a60" x3="-2.438147" y3="0.297091" z3="3.432239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a61" x3="-4.070412" y3="-0.164881" z3="4.005262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0326,-.7046,-1.7883;-2.4277,-1.8929,4.5464;-2.0105,-2.7367,2.0521;-2.6798,-5.7667,.0905;-4.8775,-4.6206,1.6231;-2.2162,-4.7694,4.1674;-3.6428,-4.9574,-3.1256;-6.4889,-4.1627,-2.4489;-3.1218,-3.5432,-1.4497;-7.1339,-6.3389,-1.6104;-5.3586,-4.6484,-1.4924;-5.6313,-6.1523,-1.319;-7.3272,-5.3878,-2.7912;-2.2191,-3.4764,.8361;-3.2028,-2.8004,-.1905;-2.512,-4.9469,1.2373;-8.0718,-6.0376,-.4255;-3.6689,-5.0713,2.2323;-3.9688,-4.3891,-2.0812;-3.3446,-4.2344,3.4847;-3.0243,-2.7965,3.0699;-2.8371,-1.325,-.5102;-6.1063,-3.3643,-3.6624;-7.9698,-7.0528,.7204;-2.8476,-.3236,.6304;-8.9686,-6.7734,1.8475;-3.0023,-.1848,4.2308;-2.6075,-6.6877,.3782;-5.6145,-4.8096,2.2205;-2.509,-5.5366,4.6777;-7.074,-3.5469,-1.8819;-2.2149,-3.5238,-1.9056;-7.3239,-7.3617,-1.9524;-5.5191,-4.125,-.5549;-5.3284,-6.4626,-.3203;-5.0381,-6.7052,-2.0511;-8.3529,-5.0626,-2.9706;-6.9093,-5.8002,-3.7107;-1.2327,-3.4685,.3589;-4.2207,-2.8383,.193;-1.6192,-5.2532,1.7965;-7.883,-5.0308,-.0262;-9.1034,-6.0266,-.8004;-3.7582,-6.1272,2.5273;-4.2244,-4.2057,4.1411;-3.9474,-2.3195,2.7228;-1.8754,-1.2982,-1.0286;-5.5696,-2.4734,-3.3397;-5.4754,-3.9792,-4.2981;-7.0269,-3.0844,-4.1734;-8.1376,-8.0617,.321;-6.9526,-7.0495,1.1307;-2.0565,-.5745,1.3359;-2.6704,.6812,.2416;-3.8077,-.3271,1.1531;-8.8043,-5.7827,2.2862;-10.0002,-6.8059,1.4795;-8.8766,-7.5122,2.6497;-2.8308,.3599,5.1617;-2.4381,.2971,3.4322;-4.0704,-.1649,4.0053;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2040975 0.1201320 0.0936239</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.031417" y3="-0.704365" z3="-1.788812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.426914" y3="-1.892409" z3="4.546276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.010377" y3="-2.736608" z3="2.051987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.680843" y3="-5.766725" z3="0.090965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.877915" y3="-4.619401" z3="1.623621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.216421" y3="-4.76906" z3="4.16748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.643259" y3="-4.957507" z3="-3.125409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.489094" y3="-4.162601" z3="-2.448375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.122038" y3="-3.543118" z3="-1.449825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.134007" y3="-6.339113" z3="-1.610595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.358789" y3="-4.648502" z3="-1.491985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.631532" y3="-6.15247" z3="-1.318928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.327235" y3="-5.387717" z3="-2.791152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.219263" y3="-3.476438" z3="0.836144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202757" y3="-2.800221" z3="-0.190569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.51263" y3="-4.946776" z3="1.237576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.072089" y3="-6.038457" z3="-0.42573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.669513" y3="-5.070551" z3="2.23267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.969053" y3="-4.389183" z3="-2.081011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="-3.344718" y3="-4.233654" z3="3.484933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.024123" y3="-2.795922" z3="3.069993">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.83647" y3="-1.32502" z3="-0.510396">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.106572" y3="-3.363482" z3="-3.661452">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.970339" y3="-7.054439" z3="0.719499">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.846837" y3="-0.323537" z3="0.630155">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.969207" y3="-6.775441" z3="1.846653">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-3.000783" y3="-0.184078" z3="4.230423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.606754" y3="-6.687683" z3="0.378518">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="-5.615146" y3="-4.808941" z3="2.220589">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.509687" y3="-5.535092" z3="4.679213">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-7.074296" y3="-3.54704" z3="-1.881093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.215268" y3="-3.523466" z3="-1.906066">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.323814" y3="-7.361794" z3="-1.953073">
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                           <atom elementType="H" id="a34" x3="-5.519138" y3="-4.125205" z3="-0.554389">
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                           <atom elementType="H" id="a35" x3="-5.328622" y3="-6.463005" z3="-0.320338">
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                           <atom elementType="H" id="a36" x3="-5.038151" y3="-6.705147" z3="-2.051051">
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                           <atom elementType="H" id="a37" x3="-8.352927" y3="-5.062493" z3="-2.970816">
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                           <atom elementType="H" id="a38" x3="-6.908978" y3="-5.799703" z3="-3.710758">
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                           <atom elementType="H" id="a39" x3="-1.23291" y3="-3.468881" z3="0.35889">
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                           <atom elementType="H" id="a40" x3="-4.220731" y3="-2.837666" z3="0.192734">
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                           <atom elementType="H" id="a41" x3="-1.619932" y3="-5.253315" z3="1.796747">
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                           <atom elementType="H" id="a57" x3="-10.00076" y3="-6.807704" z3="1.478692">
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                           <atom elementType="H" id="a58" x3="-8.877264" y3="-7.514626" z3="2.648571">
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                           <atom elementType="H" id="a59" x3="-2.829182" y3="0.360628" z3="5.161336">
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                           <atom elementType="H" id="a60" x3="-2.436229" y3="0.297536" z3="3.431947">
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                           <atom elementType="H" id="a61" x3="-4.068799" y3="-0.163673" z3="4.00468">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0314,-.7044,-1.7888;-2.4269,-1.8924,4.5463;-2.0104,-2.7366,2.052;-2.6808,-5.7667,.091;-4.8779,-4.6194,1.6236;-2.2164,-4.7691,4.1675;-3.6433,-4.9575,-3.1254;-6.4891,-4.1626,-2.4484;-3.122,-3.5431,-1.4498;-7.134,-6.3391,-1.6106;-5.3588,-4.6485,-1.492;-5.6315,-6.1525,-1.3189;-7.3272,-5.3877,-2.7912;-2.2193,-3.4764,.8361;-3.2028,-2.8002,-.1906;-2.5126,-4.9468,1.2376;-8.0721,-6.0385,-.4257;-3.6695,-5.0706,2.2327;-3.9691,-4.3892,-2.081;-3.3447,-4.2337,3.4849;-3.0241,-2.7959,3.07;-2.8365,-1.325,-.5104;-6.1066,-3.3635,-3.6615;-7.9703,-7.0544,.7195;-2.8468,-.3235,.6302;-8.9692,-6.7754,1.8467;-3.0008,-.1841,4.2304;-2.6068,-6.6877,.3785;-5.6151,-4.8089,2.2206;-2.5097,-5.5351,4.6792;-7.0743,-3.547,-1.8811;-2.2153,-3.5235,-1.9061;-7.3238,-7.3618,-1.9531;-5.5191,-4.1252,-.5544;-5.3286,-6.463,-.3203;-5.0382,-6.7051,-2.0511;-8.3529,-5.0625,-2.9708;-6.909,-5.7997,-3.7108;-1.2329,-3.4689,.3589;-4.2207,-2.8377,.1927;-1.6199,-5.2533,1.7967;-7.8832,-5.032,-.0257;-9.1037,-6.0271,-.8007;-3.7592,-6.1264,2.5279;-4.2244,-4.2046,4.1415;-3.9471,-2.3186,2.7229;-1.8746,-1.2986,-1.0285;-5.5704,-2.4725,-3.3382;-5.4752,-3.9778,-4.2972;-7.0271,-3.0839,-4.1727;-8.1383,-8.063,.3195;-6.9532,-7.0516,1.1299;-2.056,-.5748,1.3358;-2.6691,.6811,.2413;-3.8071,-.3267,1.1525;-8.8048,-5.7849,2.2857;-10.0008,-6.8077,1.4787;-8.8773,-7.5146,2.6486;-2.8292,.3606,5.1613;-2.4362,.2975,3.4319;-4.0688,-.1637,4.0047;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2040979 0.1201218 0.0936038</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.031141" y3="-0.704068" z3="-1.788808">
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                           <atom elementType="S" id="a2" x3="-2.426344" y3="-1.89188" z3="4.546144">
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                           <atom elementType="O" id="a3" x3="-2.010205" y3="-2.736413" z3="2.051878">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.681471" y3="-5.766632" z3="0.091269">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a5" x3="-4.878123" y3="-4.618686" z3="1.624026">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.21645" y3="-4.768617" z3="4.16764">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.643528" y3="-4.957868" z3="-3.125009">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.489214" y3="-4.162522" z3="-2.447854">
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                           <atom elementType="N" id="a9" x3="-3.12228" y3="-3.542976" z3="-1.449893">
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                           <atom elementType="C" id="a11" x3="-5.358904" y3="-4.648768" z3="-1.49152">
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                           <atom elementType="C" id="a14" x3="-2.219315" y3="-3.476373" z3="0.836141">
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                           <atom elementType="C" id="a15" x3="-3.202713" y3="-2.800053" z3="-0.190601">
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                           </atom>
                           <atom elementType="C" id="a16" x3="-2.512935" y3="-4.946586" z3="1.237757">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-8.072421" y3="-6.039099" z3="-0.425976">
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                           <atom elementType="C" id="a18" x3="-3.669796" y3="-5.070011" z3="2.232979">
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                           <atom elementType="C" id="a19" x3="-3.96925" y3="-4.38937" z3="-2.080681">
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                           <atom elementType="C" id="a20" x3="-3.344711" y3="-4.233017" z3="3.485119">
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                           <atom elementType="C" id="a21" x3="-3.023879" y3="-2.795421" z3="3.069991">
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                           <atom elementType="C" id="a22" x3="-2.836074" y3="-1.324986" z3="-0.510606">
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                           <atom elementType="C" id="a23" x3="-6.106564" y3="-3.362897" z3="-3.660541">
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                           <atom elementType="C" id="a24" x3="-7.970955" y3="-7.05572" z3="0.71874">
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                           <atom elementType="C" id="a25" x3="-2.845932" y3="-0.323419" z3="0.629887">
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                           <atom elementType="C" id="a26" x3="-8.969978" y3="-6.777131" z3="1.84587">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                           </atom>
                           <atom elementType="H" id="a31" x3="-7.074459" y3="-3.547193" z3="-1.880355">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.215656" y3="-3.523158" z3="-1.906418">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.323905" y3="-7.361873" z3="-1.953641">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.51913" y3="-4.125513" z3="-0.55388">
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                           <atom elementType="H" id="a35" x3="-5.329084" y3="-6.463509" z3="-0.320228">
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                           <atom elementType="H" id="a36" x3="-5.038245" y3="-6.705273" z3="-2.050899">
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                           <atom elementType="H" id="a37" x3="-8.352886" y3="-5.062321" z3="-2.970966">
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                           <atom elementType="H" id="a38" x3="-6.908717" y3="-5.799306" z3="-3.710743">
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                           <atom elementType="H" id="a40" x3="-4.220697" y3="-2.837153" z3="0.192684">
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                           <atom elementType="H" id="a57" x3="-10.001478" y3="-6.809268" z3="1.477759">
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                           <atom elementType="H" id="a59" x3="-2.827736" y3="0.361422" z3="5.160886">
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                           <atom elementType="H" id="a60" x3="-2.435373" y3="0.297828" z3="3.431384">
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                           <atom elementType="H" id="a61" x3="-4.067887" y3="-0.162755" z3="4.004753">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0311,-.7041,-1.7888;-2.4263,-1.8919,4.5461;-2.0102,-2.7364,2.0519;-2.6815,-5.7666,.0913;-4.8781,-4.6187,1.624;-2.2165,-4.7686,4.1676;-3.6435,-4.9579,-3.125;-6.4892,-4.1625,-2.4479;-3.1223,-3.543,-1.4499;-7.1342,-6.3393,-1.6108;-5.3589,-4.6488,-1.4915;-5.6318,-6.1527,-1.3188;-7.3272,-5.3876,-2.7911;-2.2193,-3.4764,.8361;-3.2027,-2.8001,-.1906;-2.5129,-4.9466,1.2378;-8.0724,-6.0391,-.426;-3.6698,-5.07,2.233;-3.9693,-4.3894,-2.0807;-3.3447,-4.233,3.4851;-3.0239,-2.7954,3.07;-2.8361,-1.325,-.5106;-6.1066,-3.3629,-3.6605;-7.971,-7.0557,.7187;-2.8459,-.3234,.6299;-8.97,-6.7771,1.8459;-2.9998,-.1834,4.2302;-2.6063,-6.6875,.3787;-5.6155,-4.8087,2.2207;-2.51,-5.534,4.6801;-7.0745,-3.5472,-1.8804;-2.2157,-3.5232,-1.9064;-7.3239,-7.3619,-1.9536;-5.5191,-4.1255,-.5539;-5.3291,-6.4635,-.3202;-5.0382,-6.7053,-2.0509;-8.3529,-5.0623,-2.971;-6.9087,-5.7993,-3.7107;-1.233,-3.469,.3588;-4.2207,-2.8372,.1927;-1.6203,-5.2533,1.7969;-7.8834,-5.0329,-.0253;-9.104,-6.0273,-.8011;-3.7596,-6.1258,2.5283;-4.2243,-4.2037,4.1418;-3.9467,-2.318,2.7229;-1.8743,-1.2988,-1.0289;-5.5706,-2.472,-3.3368;-5.475,-3.9769,-4.2964;-7.027,-3.0832,-4.1719;-8.1389,-8.0641,.3181;-6.9538,-7.0532,1.1293;-2.055,-.5748,1.3353;-2.6681,.6812,.2409;-3.8061,-.3263,1.1525;-8.8055,-5.7867,2.2853;-10.0015,-6.8093,1.4778;-8.8782,-7.5166,2.6476;-2.8277,.3614,5.1609;-2.4354,.2978,3.4314;-4.0679,-.1628,4.0048;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041007 0.1201092 0.0935894</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-2.681508" y3="-5.766298" z3="0.091227">
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                           <atom elementType="O" id="a5" x3="-4.877909" y3="-4.618297" z3="1.624308">
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                           <atom elementType="O" id="a6" x3="-2.215993" y3="-4.768309" z3="4.167602">
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                           <atom elementType="O" id="a7" x3="-3.643927" y3="-4.958175" z3="-3.124465">
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                           <atom elementType="N" id="a8" x3="-6.489401" y3="-4.162704" z3="-2.447317">
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                           <atom elementType="C" id="a16" x3="-2.512782" y3="-4.946275" z3="1.237696">
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                           <atom elementType="C" id="a17" x3="-8.073003" y3="-6.03973" z3="-0.426422">
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                           <atom elementType="C" id="a18" x3="-3.669556" y3="-5.069653" z3="2.233072">
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                           <atom elementType="C" id="a20" x3="-3.344305" y3="-4.232642" z3="3.485169">
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                           <atom elementType="C" id="a24" x3="-7.972108" y3="-7.056685" z3="0.71808">
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                           <atom elementType="H" id="a47" x3="-1.874463" y3="-1.298744" z3="-1.029687">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.571005" y3="-2.471506" z3="-3.33522">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.474919" y3="-3.975869" z3="-4.295625">
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                           <atom elementType="H" id="a50" x3="-7.027099" y3="-3.082623" z3="-4.170927">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-8.13994" y3="-8.064915" z3="0.3171">
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                           <atom elementType="H" id="a52" x3="-6.955175" y3="-7.054379" z3="1.129115">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.053573" y3="-0.57459" z3="1.334672">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a54" x3="-2.667214" y3="0.681432" z3="0.240498">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.80472" y3="-0.325822" z3="1.152943">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.807495" y3="-5.787972" z3="2.284375">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a57" x3="-10.00299" y3="-6.810522" z3="1.476209">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-8.880137" y3="-7.517848" z3="2.646443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a59" x3="-2.826864" y3="0.361927" z3="5.160545">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-2.434261" y3="0.298059" z3="3.431106">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.066951" y3="-0.16212" z3="4.004288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0317,-.7036,-1.7883;-2.4258,-1.8915,4.5461;-2.0099,-2.7361,2.0518;-2.6815,-5.7663,.0912;-4.8779,-4.6183,1.6243;-2.216,-4.7683,4.1676;-3.6439,-4.9582,-3.1245;-6.4894,-4.1627,-2.4473;-3.1226,-3.5427,-1.4499;-7.1342,-6.3397,-1.6108;-5.3591,-4.6489,-1.4909;-5.632,-6.1528,-1.318;-7.3268,-5.388,-2.7912;-2.2192,-3.4761,.8361;-3.2027,-2.7997,-.1905;-2.5128,-4.9463,1.2377;-8.073,-6.0397,-.4264;-3.6696,-5.0697,2.2331;-3.9695,-4.3895,-2.0802;-3.3443,-4.2326,3.4852;-3.0235,-2.7951,3.07;-2.8359,-1.3248,-.5107;-6.1067,-3.3624,-3.6595;-7.9721,-7.0567,.7181;-2.8449,-.3231,.6297;-8.9717,-6.7783,1.8448;-2.9989,-.183,4.2298;-2.6059,-6.6872,.3785;-5.6153,-4.8091,2.2207;-2.5097,-5.5334,4.6805;-7.075,-3.5479,-1.8797;-2.2161,-3.5229,-1.9066;-7.3235,-7.3623,-1.9538;-5.5192,-4.1254,-.5533;-5.3298,-6.4634,-.3192;-5.0379,-6.7055,-2.0496;-8.3524,-5.063,-2.9718;-6.9075,-5.7995,-3.7106;-1.2329,-3.4688,.3586;-4.2206,-2.8367,.1929;-1.6201,-5.2531,1.7967;-7.8841,-5.0337,-.0254;-9.1044,-6.0278,-.802;-3.7593,-6.1254,2.5285;-4.2238,-4.2033,4.142;-3.9464,-2.3176,2.723;-1.8745,-1.2987,-1.0297;-5.571,-2.4715,-3.3352;-5.4749,-3.9759,-4.2956;-7.0271,-3.0826,-4.1709;-8.1399,-8.0649,.3171;-6.9552,-7.0544,1.1291;-2.0536,-.5746,1.3347;-2.6672,.6814,.2405;-3.8047,-.3258,1.1529;-8.8075,-5.788,2.2844;-10.003,-6.8105,1.4762;-8.8801,-7.5178,2.6464;-2.8269,.3619,5.1605;-2.4343,.2981,3.4311;-4.067,-.1621,4.0043;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041054 0.1200907 0.0935780</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.032455" y3="-0.703031" z3="-1.787643">
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                           <atom elementType="S" id="a2" x3="-2.425044" y3="-1.890991" z3="4.545883">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="-2.009479" y3="-2.735659" z3="2.051537">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.681468" y3="-5.765808" z3="0.091076">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-4.877524" y3="-4.617764" z3="1.624658">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.215154" y3="-4.767846" z3="4.16743">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.644298" y3="-4.95875" z3="-3.123711">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.489523" y3="-4.162993" z3="-2.446526">
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                           <atom elementType="C" id="a10" x3="-7.134138" y3="-6.340175" z3="-1.61076">
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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 elementType="C" id="a12" x3="-5.632122" y3="-6.15298" z3="-1.316796">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-7.32604" y3="-5.388541" z3="-2.791317">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-2.21891" y3="-3.475675" z3="0.835863">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202611" y3="-2.79933" z3="-0.190514">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-2.51249" y3="-4.945837" z3="1.237539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.073764" y3="-6.040516" z3="-0.426996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.669093" y3="-5.069183" z3="2.233143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.969765" y3="-4.389685" z3="-2.079581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.343596" y3="-4.232171" z3="3.485186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.02287" y3="-2.79463" z3="3.069889">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.835795" y3="-1.324408" z3="-0.510961">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.106834" y3="-3.361737" z3="-3.658009">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.97391" y3="-7.057996" z3="0.717162">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.843711" y3="-0.322669" z3="0.629378">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.974036" y3="-6.779727" z3="1.843394">
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                           <atom elementType="C" id="a27" x3="-2.997995" y3="-0.182474" z3="4.229525">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.322895" y3="-7.362845" z3="-1.953906">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.519196" y3="-4.125342" z3="-0.552526">
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                           <atom elementType="H" id="a35" x3="-5.330872" y3="-6.463182" z3="-0.317583">
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                           <atom elementType="H" id="a37" x3="-8.351669" y3="-5.063983" z3="-2.972683">
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                           <atom elementType="H" id="a44" x3="-3.758825" y3="-6.124935" z3="2.528553">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-3.945846" y3="-2.317232" z3="2.723006">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
               </module>
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                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033899" y3="-0.701862" z3="-1.786599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.422666" y3="-1.889857" z3="4.545284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.008273" y3="-2.7347" z3="2.050833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.681205" y3="-5.764794" z3="0.090692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.876438" y3="-4.616523" z3="1.625441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.212784" y3="-4.766804" z3="4.166861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.644942" y3="-4.960015" z3="-3.122184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.48961" y3="-4.163807" z3="-2.444936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.123576" y3="-3.541464" z3="-1.450083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.133694" y3="-6.341401" z3="-1.610583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.359268" y3="-4.649468" z3="-1.488017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.632245" y3="-6.153305" z3="-1.3140">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.324244" y3="-5.389952" z3="-2.791495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.218244" y3="-3.474764" z3="0.835279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202483" y3="-2.798459" z3="-0.190591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.51166" y3="-4.944902" z3="1.237127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.075319" y3="-6.042083" z3="-0.428251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.667765" y3="-5.068172" z3="2.233288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.970105" y3="-4.390204" z3="-2.078348">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.341603" y3="-4.23119" z3="3.485191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.02115" y3="-2.793646" z3="3.069662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.835754" y3="-1.323583" z3="-0.511347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.107053" y3="-3.360572" z3="-3.655091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a24" x3="-7.978361" y3="-7.060805" z3="0.71507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="-2.842035" y3="-0.321735" z3="0.628878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a26" x3="-8.979367" y3="-6.782142" z3="1.840409">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.996152" y3="-0.181476" z3="4.229172">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.6064" y3="-6.685772" z3="0.377957">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="-5.613879" y3="-4.810067" z3="2.220809">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="-2.506202" y3="-5.531614" z3="4.680319">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-7.076939" y3="-3.551182" z3="-1.876714">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.217403" y3="-3.521595" z3="-1.907499">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.321349" y3="-7.364196" z3="-1.953929">
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                           <atom elementType="H" id="a35" x3="-5.333025" y3="-6.462437" z3="-0.313838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-8.349852" y3="-5.066349" z3="-2.974719">
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                           <atom elementType="H" id="a40" x3="-4.220136" y3="-2.835206" z3="0.193698">
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                           <atom elementType="H" id="a41" x3="-1.618611" y3="-5.251802" z3="1.795516">
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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 elementType="H" id="a43" x3="-9.10576" y3="-6.028669" z3="-0.806263">
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                           <atom elementType="H" id="a44" x3="-3.7575" y3="-6.123918" z3="2.528688">
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                           <atom elementType="H" id="a52" x3="-6.962159" y3="-7.061243" z3="1.127905">
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                           <atom elementType="H" id="a53" x3="-2.049567" y3="-0.573412" z3="1.332548">
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                           <atom elementType="H" id="a54" x3="-2.664575" y3="0.682619" z3="0.239086">
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                           <atom elementType="H" id="a55" x3="-3.800855" y3="-0.32385" z3="1.153923">
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                           <atom elementType="H" id="a56" x3="-8.814121" y3="-5.792744" z3="2.281732">
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                           <atom elementType="H" id="a57" x3="-10.010087" y3="-6.811871" z3="1.469937">
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                           <atom elementType="H" id="a58" x3="-8.890656" y3="-7.523008" z3="2.641139">
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                           <atom elementType="H" id="a59" x3="-2.823429" y3="0.3637" z3="5.159602">
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                           <atom elementType="H" id="a60" x3="-2.432201" y3="0.299433" z3="3.429852">
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                           <atom elementType="H" id="a61" x3="-4.064391" y3="-0.160743" z3="4.00448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0339,-.7019,-1.7866;-2.4227,-1.8899,4.5453;-2.0083,-2.7347,2.0508;-2.6812,-5.7648,.0907;-4.8764,-4.6165,1.6254;-2.2128,-4.7668,4.1669;-3.6449,-4.96,-3.1222;-6.4896,-4.1638,-2.4449;-3.1236,-3.5415,-1.4501;-7.1337,-6.3414,-1.6106;-5.3593,-4.6495,-1.488;-5.6322,-6.1533,-1.314;-7.3242,-5.39,-2.7915;-2.2182,-3.4748,.8353;-3.2025,-2.7985,-.1906;-2.5117,-4.9449,1.2371;-8.0753,-6.0421,-.4283;-3.6678,-5.0682,2.2333;-3.9701,-4.3902,-2.0783;-3.3416,-4.2312,3.4852;-3.0212,-2.7936,3.0697;-2.8358,-1.3236,-.5113;-6.1071,-3.3606,-3.6551;-7.9784,-7.0608,.7151;-2.842,-.3217,.6289;-8.9794,-6.7821,1.8404;-2.9962,-.1815,4.2292;-2.6064,-6.6858,.378;-5.6139,-4.8101,2.2208;-2.5062,-5.5316,4.6803;-7.0769,-3.5512,-1.8767;-2.2174,-3.5216,-1.9075;-7.3213,-7.3642,-1.9539;-5.5191,-4.1251,-.5509;-5.333,-6.4624,-.3138;-5.0359,-6.7068,-2.0431;-8.3499,-5.0663,-2.9747;-6.9018,-5.8008,-3.7097;-1.2323,-3.4674,.3572;-4.2201,-2.8352,.1937;-1.6186,-5.2518,1.7955;-7.8862,-5.0368,-.0254;-9.1058,-6.0287,-.8063;-3.7575,-6.1239,2.5287;-4.2206,-4.2019,4.1426;-3.9444,-2.3164,2.7232;-1.8754,-1.298,-1.0323;-5.5723,-2.4699,-3.3286;-5.4744,-3.9722,-4.2922;-7.0273,-3.0804,-4.1665;-8.1475,-8.0681,.3123;-6.9622,-7.0612,1.1279;-2.0496,-.5734,1.3325;-2.6646,.6826,.2391;-3.8009,-.3239,1.1539;-8.8141,-5.7927,2.2817;-10.0101,-6.8119,1.4699;-8.8907,-7.523,2.6411;-2.8234,.3637,5.1596;-2.4322,.2994,3.4299;-4.0644,-.1607,4.0045;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041153 0.1200061 0.0935348</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.034236" y3="-0.701492" z3="-1.786392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.421253" y3="-1.889353" z3="4.544962">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.007569" y3="-2.734297" z3="2.050459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.680903" y3="-5.764439" z3="0.090597">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.875787" y3="-4.616004" z3="1.625824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.211491" y3="-4.766318" z3="4.166603">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.645344" y3="-4.960423" z3="-3.121602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.489701" y3="-4.164225" z3="-2.444366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.12381" y3="-3.541131" z3="-1.450139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.133378" y3="-6.341964" z3="-1.610453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.359367" y3="-4.649434" z3="-1.487219">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.632239" y3="-6.153285" z3="-1.312598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.323353" y3="-5.39075" z3="-2.791643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.217854" y3="-3.474387" z3="0.83499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202398" y3="-2.798122" z3="-0.190631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-2.511131" y3="-4.944523" z3="1.236981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.076013" y3="-6.042753" z3="-0.428855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-3.666983" y3="-5.067747" z3="2.233406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.970305" y3="-4.390319" z3="-2.077867">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.340499" y3="-4.230755" z3="3.485223">
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                           <atom elementType="C" id="a21" x3="-3.020174" y3="-2.793205" z3="3.06957">
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                           <atom elementType="C" id="a22" x3="-2.835775" y3="-1.323237" z3="-0.511468">
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                           <atom elementType="C" id="a24" x3="-7.98061" y3="-7.062101" z3="0.714026">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.981861" y3="-6.783022" z3="1.839037">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="-2.995234" y3="-0.181079" z3="4.229131">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-2.606958" y3="-6.685443" z3="0.378013">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-5.613199" y3="-4.810197" z3="2.221013">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-2.504737" y3="-5.531101" z3="4.6802">
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                           <atom elementType="H" id="a31" x3="-7.077704" y3="-3.552301" z3="-1.876072">
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                           <atom elementType="H" id="a33" x3="-7.320438" y3="-7.364866" z3="-1.953788">
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                           <atom elementType="H" id="a34" x3="-5.519144" y3="-4.124703" z3="-0.550306">
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                           <atom elementType="H" id="a40" x3="-4.219941" y3="-2.834904" z3="0.193954">
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                           <atom elementType="H" id="a61" x3="-4.063547" y3="-0.16059" z3="4.00477">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0342,-.7015,-1.7864;-2.4213,-1.8894,4.545;-2.0076,-2.7343,2.0505;-2.6809,-5.7644,.0906;-4.8758,-4.616,1.6258;-2.2115,-4.7663,4.1666;-3.6453,-4.9604,-3.1216;-6.4897,-4.1642,-2.4444;-3.1238,-3.5411,-1.4501;-7.1334,-6.342,-1.6105;-5.3594,-4.6494,-1.4872;-5.6322,-6.1533,-1.3126;-7.3234,-5.3907,-2.7916;-2.2179,-3.4744,.835;-3.2024,-2.7981,-.1906;-2.5111,-4.9445,1.237;-8.076,-6.0428,-.4289;-3.667,-5.0677,2.2334;-3.9703,-4.3903,-2.0779;-3.3405,-4.2308,3.4852;-3.0202,-2.7932,3.0696;-2.8358,-1.3232,-.5115;-6.1073,-3.3601,-3.654;-7.9806,-7.0621,.714;-2.8417,-.3214,.6287;-8.9819,-6.783,1.839;-2.9952,-.1811,4.2291;-2.607,-6.6854,.378;-5.6132,-4.8102,2.221;-2.5047,-5.5311,4.6802;-7.0777,-3.5523,-1.8761;-2.2178,-3.5212,-1.9078;-7.3204,-7.3649,-1.9538;-5.5191,-4.1247,-.5503;-5.334,-6.4617,-.3119;-5.0351,-6.7071,-2.0407;-8.349,-5.0677,-2.9758;-6.8998,-5.8014,-3.7094;-1.232,-3.4671,.3567;-4.2199,-2.8349,.194;-1.6179,-5.2514,1.7952;-7.8868,-5.0377,-.0253;-9.1061,-6.0287,-.8078;-3.7567,-6.1235,2.5288;-4.2194,-4.2015,4.1428;-3.9435,-2.3159,2.7233;-1.8755,-1.2977,-1.0327;-5.5731,-2.4694,-3.3269;-5.4742,-3.971,-4.2914;-7.0276,-3.0802,-4.1655;-8.1506,-8.069,.3106;-6.9646,-7.0638,1.1274;-2.0491,-.573,1.3323;-2.6644,.683,.2389;-3.8004,-.3234,1.154;-8.8158,-5.7941,2.2811;-10.0124,-6.8114,1.468;-8.8944,-7.5245,2.6393;-2.8223,.3641,5.1595;-2.4316,.3,3.4297;-4.0635,-.1606,4.0048;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041185 0.1199751 0.0935188</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-2.680491" y3="-5.764258" z3="0.090601">
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                           <atom elementType="O" id="a5" x3="-4.875169" y3="-4.615647" z3="1.626129">
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                           <atom elementType="O" id="a6" x3="-2.210365" y3="-4.766001" z3="4.166388">
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                           <atom elementType="O" id="a7" x3="-3.645767" y3="-4.960596" z3="-3.121246">
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                           <atom elementType="N" id="a8" x3="-6.489857" y3="-4.164507" z3="-2.444097">
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                           </atom>
                           <atom elementType="H" id="a31" x3="-7.078407" y3="-3.553045" z3="-1.875853">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.21796" y3="-3.521167" z3="-1.90794">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.319725" y3="-7.365323" z3="-1.953567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.519382" y3="-4.12413" z3="-0.550021">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.334704" y3="-6.460958" z3="-0.310469">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-5.034482" y3="-6.707168" z3="-2.038933">
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                           <atom elementType="H" id="a37" x3="-8.348361" y3="-5.068816" z3="-2.976723">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-6.898361" y3="-5.802027" z3="-3.709249">
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                           <atom elementType="H" id="a39" x3="-1.231771" y3="-3.46678" z3="0.356248">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.219736" y3="-2.834725" z3="0.194144">
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                           <atom elementType="H" id="a41" x3="-1.617267" y3="-5.251005" z3="1.794973">
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                           <atom elementType="H" id="a42" x3="-7.887257" y3="-5.038337" z3="-0.02529">
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                           <atom elementType="H" id="a43" x3="-9.106397" y3="-6.028606" z3="-0.80892">
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                           <atom elementType="H" id="a44" x3="-3.756084" y3="-6.123217" z3="2.528956">
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                           <atom elementType="H" id="a46" x3="-3.942772" y3="-2.315721" z3="2.723483">
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                           <atom elementType="H" id="a57" x3="-10.014152" y3="-6.810912" z3="1.466697">
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                           <atom elementType="H" id="a58" x3="-8.897076" y3="-7.525499" z3="2.638044">
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                           <atom elementType="H" id="a59" x3="-2.821394" y3="0.364354" z3="5.159543">
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                           <atom elementType="H" id="a60" x3="-2.431775" y3="0.300357" z3="3.42942">
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                           <atom elementType="H" id="a61" x3="-4.063205" y3="-0.160626" z3="4.005568">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0341,-.7014,-1.7865;-2.4202,-1.889,4.5448;-2.007,-2.734,2.0502;-2.6805,-5.7643,.0906;-4.8752,-4.6156,1.6261;-2.2104,-4.766,4.1664;-3.6458,-4.9606,-3.1212;-6.4899,-4.1645,-2.4441;-3.1239,-3.541,-1.4501;-7.1332,-6.3423,-1.6103;-5.3596,-4.6492,-1.4867;-5.6323,-6.1531,-1.3115;-7.3227,-5.3914,-2.7918;-2.2175,-3.4741,.8348;-3.2023,-2.7979,-.1907;-2.5106,-4.9443,1.2369;-8.0766,-6.0432,-.4293;-3.6663,-5.0675,2.2335;-3.9705,-4.3903,-2.0776;-3.3396,-4.2305,3.4853;-3.0194,-2.7929,3.0695;-2.8357,-1.3231,-.5116;-6.1076,-3.3598,-3.6534;-7.9823,-7.063,.7133;-2.8417,-.3212,.6286;-8.9837,-6.7836,1.8381;-2.9947,-.1809,4.2292;-2.6072,-6.6853,.3782;-5.6125,-4.8102,2.2213;-2.5034,-5.5308,4.6801;-7.0784,-3.553,-1.8759;-2.218,-3.5212,-1.9079;-7.3197,-7.3653,-1.9536;-5.5194,-4.1241,-.55;-5.3347,-6.461,-.3105;-5.0345,-6.7072,-2.0389;-8.3484,-5.0688,-2.9767;-6.8984,-5.802,-3.7092;-1.2318,-3.4668,.3562;-4.2197,-2.8347,.1941;-1.6173,-5.251,1.795;-7.8873,-5.0383,-.0253;-9.1064,-6.0286,-.8089;-3.7561,-6.1232,2.529;-4.2183,-4.2012,4.1431;-3.9428,-2.3157,2.7235;-1.8754,-1.2975,-1.0328;-5.5739,-2.4689,-3.326;-5.4741,-3.9703,-4.2908;-7.028,-3.0803,-4.1651;-8.1529,-8.0696,.3095;-6.9664,-7.0656,1.1269;-2.0491,-.5728,1.3322;-2.6643,.6832,.2388;-3.8004,-.3232,1.1538;-8.8169,-5.795,2.2806;-10.0142,-6.8109,1.4667;-8.8971,-7.5255,2.638;-2.8214,.3644,5.1595;-2.4318,.3004,3.4294;-4.0632,-.1606,4.0056;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041174 0.1199506 0.0935053</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="O" id="a4" x3="-2.680124" y3="-5.764177" z3="0.09065">
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                           <atom elementType="O" id="a5" x3="-4.874714" y3="-4.615545" z3="1.626351">
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.209634" y3="-4.765777" z3="4.166345">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646203" y3="-4.960529" z3="-3.121081">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.490057" y3="-4.164707" z3="-2.443975">
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                           <atom elementType="C" id="a14" x3="-2.217225" y3="-3.473988" z3="0.834712">
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                           <atom elementType="C" id="a16" x3="-2.510184" y3="-4.944141" z3="1.236919">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.076955" y3="-6.043449" z3="-0.429637">
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                           <atom elementType="C" id="a18" x3="-3.665748" y3="-5.067358" z3="2.233655">
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                           <atom elementType="C" id="a19" x3="-3.970794" y3="-4.390172" z3="-2.077389">
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                           <atom elementType="C" id="a20" x3="-3.338918" y3="-4.230332" z3="3.48535">
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                           <atom elementType="C" id="a22" x3="-2.835667" y3="-1.322955" z3="-0.5116">
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                           <atom elementType="C" id="a23" x3="-6.107947" y3="-3.359645" z3="-3.653146">
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                           <atom elementType="C" id="a24" x3="-7.983351" y3="-7.063458" z3="0.712783">
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                           <atom elementType="H" id="a47" x3="-1.87533" y3="-1.297393" z3="-1.032663">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.574789" y3="-2.468504" z3="-3.325405">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a49" x3="-5.473982" y3="-3.969653" z3="-4.290475">
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                           <atom elementType="H" id="a50" x3="-7.028325" y3="-3.080476" z3="-4.164914">
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                           <atom elementType="H" id="a52" x3="-6.967604" y3="-7.066553" z3="1.126749">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.049228" y3="-0.572681" z3="1.332212">
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                           <atom elementType="H" id="a54" x3="-2.664431" y3="0.683279" z3="0.238808">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a55" x3="-3.800573" y3="-0.323186" z3="1.153782">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.81794" y3="-5.795517" z3="2.280194">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-10.015362" y3="-6.810719" z3="1.465665">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-8.898946" y3="-7.526086" z3="2.63716">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.820933" y3="0.364453" z3="5.159591">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-2.431201" y3="0.300661" z3="3.429488">
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.062614" y3="-0.160569" z3="4.005486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0339,-.7013,-1.7866;-2.4194,-1.8888,4.5447;-2.0065,-2.7339,2.0501;-2.6801,-5.7642,.0906;-4.8747,-4.6155,1.6264;-2.2096,-4.7658,4.1663;-3.6462,-4.9605,-3.1211;-6.4901,-4.1647,-2.444;-3.124,-3.5409,-1.4501;-7.133,-6.3425,-1.6102;-5.3598,-4.649,-1.4864;-5.6323,-6.1529,-1.3108;-7.3223,-5.3919,-2.792;-2.2172,-3.474,.8347;-3.2022,-2.7978,-.1906;-2.5102,-4.9441,1.2369;-8.077,-6.0434,-.4296;-3.6657,-5.0674,2.2337;-3.9708,-4.3902,-2.0774;-3.3389,-4.2303,3.4853;-3.0188,-2.7928,3.0695;-2.8357,-1.323,-.5116;-6.1079,-3.3596,-3.6531;-7.9834,-7.0635,.7128;-2.8418,-.3211,.6286;-8.985,-6.7839,1.8373;-2.9942,-.1807,4.2292;-2.6072,-6.6852,.3783;-5.612,-4.8102,2.2215;-2.5026,-5.5305,4.6802;-7.079,-3.5536,-1.8758;-2.2181,-3.5212,-1.908;-7.3191,-7.3657,-1.9534;-5.5197,-4.1236,-.5499;-5.3352,-6.4603,-.3094;-5.034,-6.7071,-2.0377;-8.3479,-5.0697,-2.9775;-6.8973,-5.8025,-3.7091;-1.2316,-3.4666,.356;-4.2196,-2.8346,.1943;-1.6168,-5.2508,1.7949;-7.8877,-5.0387,-.0254;-9.1066,-6.0287,-.8098;-3.7555,-6.1231,2.5291;-4.2176,-4.2011,4.1432;-3.9423,-2.3156,2.7236;-1.8753,-1.2974,-1.0327;-5.5748,-2.4685,-3.3254;-5.474,-3.9697,-4.2905;-7.0283,-3.0805,-4.1649;-8.1542,-8.07,.3088;-6.9676,-7.0666,1.1267;-2.0492,-.5727,1.3322;-2.6644,.6833,.2388;-3.8006,-.3232,1.1538;-8.8179,-5.7955,2.2802;-10.0154,-6.8107,1.4657;-8.8989,-7.5261,2.6372;-2.8209,.3645,5.1596;-2.4312,.3007,3.4295;-4.0626,-.1606,4.0055;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041185 0.1199326 0.0934949</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033721" y3="-0.701361" z3="-1.786731">
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                           <atom elementType="S" id="a2" x3="-2.419191" y3="-1.888721" z3="4.544654">
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                           <atom elementType="O" id="a3" x3="-2.006361" y3="-2.733797" z3="2.050044">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.679935" y3="-5.764159" z3="0.090696">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a5" x3="-4.874498" y3="-4.615532" z3="1.626475">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.209298" y3="-4.765698" z3="4.166342">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646443" y3="-4.960447" z3="-3.121042">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a8" x3="-6.490185" y3="-4.164757" z3="-2.443973">
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                           <atom elementType="N" id="a9" x3="-3.124077" y3="-3.54098" z3="-1.450003">
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                           <atom elementType="C" id="a11" x3="-5.35994" y3="-4.648818" z3="-1.486319">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.632368" y3="-6.152753" z3="-1.310469">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-7.322176" y3="-5.392122" z3="-2.792092">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a14" x3="-2.217099" y3="-3.473941" z3="0.834705">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202135" y3="-2.797821" z3="-0.190599">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-2.509983" y3="-4.944097" z3="1.236942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.077163" y3="-6.043535" z3="-0.429779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.665508" y3="-5.067332" z3="2.233731">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.970948" y3="-4.390084" z3="-2.077329">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.338636" y3="-4.230292" z3="3.485403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.018617" y3="-2.792724" z3="3.069571">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-2.835583" y3="-1.322956" z3="-0.511633">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-6.10812" y3="-3.359581" z3="-3.653103">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="-7.983666" y3="-7.063533" z3="0.712664">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="-2.841813" y3="-0.321081" z3="0.628616">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="-8.985528" y3="-6.784089" z3="1.837044">
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                           <atom elementType="C" id="a27" x3="-2.994036" y3="-0.180633" z3="4.22928">
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                           <atom elementType="H" id="a29" x3="-5.611803" y3="-4.810168" z3="2.221655">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-7.079343" y3="-3.553735" z3="-1.875866">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-2.218185" y3="-3.521273" z3="-1.907996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.31894" y3="-7.365785" z3="-1.953254">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.519852" y3="-4.123276" z3="-0.549895">
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                           <atom elementType="H" id="a35" x3="-5.335377" y3="-6.459967" z3="-0.309055">
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                           <atom elementType="H" id="a36" x3="-5.033906" y3="-6.707008" z3="-2.037193">
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                           <atom elementType="H" id="a37" x3="-8.347829" y3="-5.070089" z3="-2.977849">
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                           <atom elementType="H" id="a44" x3="-3.755264" y3="-6.123055" z3="2.529208">
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                           <atom elementType="H" id="a45" x3="-4.21726" y3="-4.201055" z3="4.143336">
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                           <atom elementType="H" id="a46" x3="-3.942065" y3="-2.315562" z3="2.723645">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a60" x3="-2.431242" y3="0.300696" z3="3.429399">
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                           <atom elementType="H" id="a61" x3="-4.062527" y3="-0.160548" z3="4.005742">
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                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041171 0.1199250 0.0934900</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041174 0.1199171 0.0934842</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033565" y3="-0.701279" z3="-1.786749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.418835" y3="-1.888525" z3="4.54463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.006107" y3="-2.73367" z3="2.050008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.679828" y3="-5.764076" z3="0.090769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.874282" y3="-4.615447" z3="1.626702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.208923" y3="-4.765495" z3="4.166406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646821" y3="-4.960335" z3="-3.12096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.490375" y3="-4.164826" z3="-2.443812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.124153" y3="-3.541008" z3="-1.449911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.13296" y3="-6.342737" z3="-1.61016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.360131" y3="-4.648683" z3="-1.486084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.632455" y3="-6.15262" z3="-1.310023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.32197" y3="-5.392394" z3="-2.792188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.216938" y3="-3.473862" z3="0.834702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202038" y3="-2.797758" z3="-0.190543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.509795" y3="-4.943995" z3="1.236987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.077526" y3="-6.043826" z3="-0.430049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.665257" y3="-5.067209" z3="2.233868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.971176" y3="-4.389976" z3="-2.077187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.338299" y3="-4.230125" z3="3.485492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.018307" y3="-2.792582" z3="3.069593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.835423" y3="-1.32292" z3="-0.511684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.108379" y3="-3.359359" z3="-3.652776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.984137" y3="-7.063782" z3="0.712457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.841571" y3="-0.321036" z3="0.628558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.986553" y3="-6.784655" z3="1.836427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-2.993563" y3="-0.18042" z3="4.229169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-2.606727" y3="-6.685062" z3="0.378467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-5.61154" y3="-4.810012" z3="2.22196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.501762" y3="-5.530473" z3="4.679933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-7.079778" y3="-3.554043" z3="-1.875708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.218315" y3="-3.521362" z3="-1.908011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.318594" y3="-7.365999" z3="-1.953219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.520032" y3="-4.122949" z3="-0.549761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.335714" y3="-6.459625" z3="-0.308472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-5.033689" y3="-6.706922" z3="-2.036466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="-8.347628" y3="-5.070572" z3="-2.978319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-6.896218" y3="-5.802943" z3="-3.709014">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-1.23136" y3="-3.466431" z3="0.355839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a40" x3="-4.219374" y3="-2.834432" z3="0.194546">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a41" x3="-1.616296" y3="-5.25058" z3="1.794848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a42" x3="-7.888655" y3="-5.039053" z3="-0.025712">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-9.107019" y3="-6.029336" z3="-0.810604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.754968" y3="-6.122925" z3="2.529391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a45" x3="-4.216874" y3="-4.200852" z3="4.143493">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a46" x3="-3.941779" y3="-2.315449" z3="2.723701">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="-1.875056" y3="-1.297427" z3="-1.032686">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-5.575767" y3="-2.468003" z3="-3.324728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a49" x3="-5.473935" y3="-3.968925" z3="-4.290041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-7.028765" y3="-3.080581" z3="-4.164729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a51" x3="-8.154306" y3="-8.070367" z3="0.308342">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a52" x3="-6.968629" y3="-7.06643" z3="1.127009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a53" x3="-2.048954" y3="-0.572631" z3="1.332079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-2.664276" y3="0.683342" z3="0.238752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.800317" y3="-0.323206" z3="1.153748">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.820121" y3="-5.796206" z3="2.279412">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-10.016692" y3="-6.811822" z3="1.46413">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-8.900727" y3="-7.526816" z3="2.63627">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a59" x3="-2.820228" y3="0.364769" z3="5.159477">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a60" x3="-2.430666" y3="0.300865" z3="3.429336">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.062032" y3="-0.160281" z3="4.005525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0336,-.7013,-1.7867;-2.4188,-1.8885,4.5446;-2.0061,-2.7337,2.05;-2.6798,-5.7641,.0908;-4.8743,-4.6154,1.6267;-2.2089,-4.7655,4.1664;-3.6468,-4.9603,-3.121;-6.4904,-4.1648,-2.4438;-3.1242,-3.541,-1.4499;-7.133,-6.3427,-1.6102;-5.3601,-4.6487,-1.4861;-5.6325,-6.1526,-1.31;-7.322,-5.3924,-2.7922;-2.2169,-3.4739,.8347;-3.202,-2.7978,-.1905;-2.5098,-4.944,1.237;-8.0775,-6.0438,-.43;-3.6653,-5.0672,2.2339;-3.9712,-4.39,-2.0772;-3.3383,-4.2301,3.4855;-3.0183,-2.7926,3.0696;-2.8354,-1.3229,-.5117;-6.1084,-3.3594,-3.6528;-7.9841,-7.0638,.7125;-2.8416,-.321,.6286;-8.9866,-6.7847,1.8364;-2.9936,-.1804,4.2292;-2.6067,-6.6851,.3785;-5.6115,-4.81,2.222;-2.5018,-5.5305,4.6799;-7.0798,-3.554,-1.8757;-2.2183,-3.5214,-1.908;-7.3186,-7.366,-1.9532;-5.52,-4.1229,-.5498;-5.3357,-6.4596,-.3085;-5.0337,-6.7069,-2.0365;-8.3476,-5.0706,-2.9783;-6.8962,-5.8029,-3.709;-1.2314,-3.4664,.3558;-4.2194,-2.8344,.1945;-1.6163,-5.2506,1.7948;-7.8887,-5.0391,-.0257;-9.107,-6.0293,-.8106;-3.755,-6.1229,2.5294;-4.2169,-4.2009,4.1435;-3.9418,-2.3154,2.7237;-1.8751,-1.2974,-1.0327;-5.5758,-2.468,-3.3247;-5.4739,-3.9689,-4.29;-7.0288,-3.0806,-4.1647;-8.1543,-8.0704,.3083;-6.9686,-7.0664,1.127;-2.049,-.5726,1.3321;-2.6643,.6833,.2388;-3.8003,-.3232,1.1537;-8.8201,-5.7962,2.2794;-10.0167,-6.8118,1.4641;-8.9007,-7.5268,2.6363;-2.8202,.3648,5.1595;-2.4307,.3009,3.4293;-4.062,-.1603,4.0055;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041168 0.1199131 0.0934816</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033561" y3="-0.701242" z3="-1.786723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.418743" y3="-1.888443" z3="4.544612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.006055" y3="-2.733628" z3="2.049998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.679856" y3="-5.764049" z3="0.090801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.874262" y3="-4.615362" z3="1.626765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.208858" y3="-4.765424" z3="4.166422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646907" y3="-4.960319" z3="-3.12094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.490416" y3="-4.164832" z3="-2.443724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.12416" y3="-3.541015" z3="-1.449891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.13294" y3="-6.342789" z3="-1.610161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.360151" y3="-4.648668" z3="-1.485998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.632464" y3="-6.1526" z3="-1.3099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.321912" y3="-5.392435" z3="-2.792187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.216907" y3="-3.473843" z3="0.834705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.202005" y3="-2.797736" z3="-0.190532">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-2.50979" y3="-4.943962" z3="1.237009">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="-8.077619" y3="-6.043947" z3="-0.430123">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.66524" y3="-5.067144" z3="2.233909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.971215" y3="-4.389963" z3="-2.077145">
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                           <atom elementType="C" id="a20" x3="-3.338241" y3="-4.230053" z3="3.48552">
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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 elementType="C" id="a27" x3="-2.993422" y3="-0.180332" z3="4.229104">
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                           <atom elementType="H" id="a28" x3="-2.606677" y3="-6.685031" z3="0.378489">
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                           <atom elementType="H" id="a30" x3="-2.501662" y3="-5.530515" z3="4.679803">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-7.079873" y3="-3.554136" z3="-1.875585">
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                           <atom elementType="H" id="a34" x3="-5.520031" y3="-4.122902" z3="-0.549687">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0336,-.7012,-1.7867;-2.4187,-1.8884,4.5446;-2.0061,-2.7336,2.05;-2.6799,-5.764,.0908;-4.8743,-4.6154,1.6268;-2.2089,-4.7654,4.1664;-3.6469,-4.9603,-3.1209;-6.4904,-4.1648,-2.4437;-3.1242,-3.541,-1.4499;-7.1329,-6.3428,-1.6102;-5.3602,-4.6487,-1.486;-5.6325,-6.1526,-1.3099;-7.3219,-5.3924,-2.7922;-2.2169,-3.4738,.8347;-3.202,-2.7977,-.1905;-2.5098,-4.944,1.237;-8.0776,-6.0439,-.4301;-3.6652,-5.0671,2.2339;-3.9712,-4.39,-2.0771;-3.3382,-4.2301,3.4855;-3.0182,-2.7925,3.0696;-2.8354,-1.3229,-.5117;-6.1085,-3.3593,-3.6526;-7.9843,-7.0639,.7124;-2.8414,-.321,.6285;-8.9868,-6.7849,1.8362;-2.9934,-.1803,4.2291;-2.6067,-6.685,.3785;-5.6115,-4.8099,2.222;-2.5017,-5.5305,4.6798;-7.0799,-3.5541,-1.8756;-2.2183,-3.5214,-1.908;-7.3185,-7.3661,-1.9533;-5.52,-4.1229,-.5497;-5.3358,-6.4596,-.3083;-5.0336,-6.7069,-2.0363;-8.3476,-5.0707,-2.9784;-6.8961,-5.8029,-3.709;-1.2313,-3.4664,.3558;-4.2193,-2.8344,.1946;-1.6163,-5.2506,1.7949;-7.8888,-5.0392,-.0258;-9.1071,-6.0295,-.8108;-3.755,-6.1229,2.5294;-4.2168,-4.2008,4.1435;-3.9417,-2.3154,2.7237;-1.875,-1.2975,-1.0328;-5.5759,-2.4679,-3.3245;-5.474,-3.9688,-4.2899;-7.0288,-3.0804,-4.1645;-8.1543,-8.0705,.3082;-6.9688,-7.0665,1.1271;-2.0488,-.5726,1.332;-2.6641,.6834,.2387;-3.8001,-.3231,1.1537;-8.8206,-5.7964,2.2793;-10.0169,-6.8122,1.4638;-8.901,-7.5271,2.6361;-2.8201,.3649,5.1594;-2.4305,.3009,3.4293;-4.0619,-.1602,4.0054;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041167 0.1199103 0.0934794</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
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                           <atom elementType="O" id="a5" x3="-4.874229" y3="-4.61538" z3="1.626773">
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                           <atom elementType="O" id="a6" x3="-2.208818" y3="-4.765392" z3="4.166434">
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                           <atom elementType="O" id="a7" x3="-3.646947" y3="-4.960295" z3="-3.120951">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a31" x3="-7.079928" y3="-3.554196" z3="-1.875542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="-2.218337" y3="-3.521387" z3="-1.908023">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="-7.318424" y3="-7.366086" z3="-1.953244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-5.520033" y3="-4.122864" z3="-0.549668">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.335842" y3="-6.459495" z3="-0.308218">
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                           <atom elementType="H" id="a36" x3="-5.033573" y3="-6.706923" z3="-2.036148">
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                           <atom elementType="H" id="a37" x3="-8.347546" y3="-5.070732" z3="-2.978416">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-6.895986" y3="-5.802959" z3="-3.708978">
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                           <atom elementType="H" id="a39" x3="-1.231298" y3="-3.466442" z3="0.355837">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-4.219307" y3="-2.834381" z3="0.194599">
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                           <atom elementType="H" id="a41" x3="-1.61626" y3="-5.250563" z3="1.794872">
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                           <atom elementType="H" id="a42" x3="-7.888938" y3="-5.039181" z3="-0.025811">
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                           <atom elementType="H" id="a43" x3="-9.1071" y3="-6.029604" z3="-0.810841">
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                           <atom elementType="H" id="a44" x3="-3.754913" y3="-6.122857" z3="2.529452">
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                           <atom elementType="H" id="a46" x3="-3.94169" y3="-2.315389" z3="2.723707">
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                           <atom elementType="H" id="a57" x3="-10.017039" y3="-6.812273" z3="1.46369">
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                           <atom elementType="H" id="a58" x3="-8.901163" y3="-7.527067" z3="2.636036">
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                           <atom elementType="H" id="a59" x3="-2.820124" y3="0.364889" z3="5.159394">
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                           <atom elementType="H" id="a60" x3="-2.430543" y3="0.30095" z3="3.429257">
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                           <atom elementType="H" id="a61" x3="-4.061914" y3="-0.16019" z3="4.005442">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0336,-.7013,-1.7867;-2.4187,-1.8884,4.5446;-2.006,-2.7336,2.05;-2.6798,-5.7641,.0908;-4.8742,-4.6154,1.6268;-2.2088,-4.7654,4.1664;-3.6469,-4.9603,-3.121;-6.4904,-4.1648,-2.4437;-3.1242,-3.541,-1.4499;-7.1329,-6.3428,-1.6102;-5.3602,-4.6486,-1.486;-5.6325,-6.1526,-1.3098;-7.3219,-5.3925,-2.7922;-2.2169,-3.4738,.8347;-3.202,-2.7977,-.1905;-2.5098,-4.944,1.237;-8.0777,-6.044,-.4302;-3.6652,-5.0671,2.2339;-3.9712,-4.3899,-2.0771;-3.3382,-4.23,3.4855;-3.0182,-2.7925,3.0696;-2.8353,-1.3229,-.5117;-6.1085,-3.3592,-3.6526;-7.9843,-7.0639,.7124;-2.8413,-.321,.6285;-8.987,-6.7849,1.8362;-2.9934,-.1803,4.2291;-2.6066,-6.685,.3785;-5.6115,-4.8099,2.2221;-2.5016,-5.5306,4.6797;-7.0799,-3.5542,-1.8755;-2.2183,-3.5214,-1.908;-7.3184,-7.3661,-1.9532;-5.52,-4.1229,-.5497;-5.3358,-6.4595,-.3082;-5.0336,-6.7069,-2.0361;-8.3475,-5.0707,-2.9784;-6.896,-5.803,-3.709;-1.2313,-3.4664,.3558;-4.2193,-2.8344,.1946;-1.6163,-5.2506,1.7949;-7.8889,-5.0392,-.0258;-9.1071,-6.0296,-.8108;-3.7549,-6.1229,2.5295;-4.2168,-4.2007,4.1435;-3.9417,-2.3154,2.7237;-1.875,-1.2975,-1.0328;-5.5759,-2.4679,-3.3244;-5.4741,-3.9687,-4.2899;-7.0289,-3.0804,-4.1645;-8.1543,-8.0705,.3082;-6.9689,-7.0664,1.1271;-2.0487,-.5726,1.332;-2.664,.6834,.2386;-3.8,-.3231,1.1538;-8.8208,-5.7964,2.2792;-10.017,-6.8123,1.4637;-8.9012,-7.5271,2.636;-2.8201,.3649,5.1594;-2.4305,.3009,3.4293;-4.0619,-.1602,4.0054;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041167 0.1199092 0.0934790</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033572" y3="-0.701274" z3="-1.786714">
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                           <atom elementType="S" id="a2" x3="-2.418743" y3="-1.888412" z3="4.544602">
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                           <atom elementType="O" id="a3" x3="-2.006054" y3="-2.733628" z3="2.050004">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.679859" y3="-5.76407" z3="0.090834">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-4.874263" y3="-4.615345" z3="1.62676">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a6" x3="-2.208875" y3="-4.765399" z3="4.166443">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646928" y3="-4.96028" z3="-3.120975">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.49043" y3="-4.164818" z3="-2.443709">
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                           <atom elementType="N" id="a9" x3="-3.124134" y3="-3.541043" z3="-1.449877">
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                           <atom elementType="C" id="a11" x3="-5.360141" y3="-4.648644" z3="-1.485993">
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                           <atom elementType="C" id="a12" x3="-5.632445" y3="-6.152579" z3="-1.309882">
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                           <atom elementType="C" id="a14" x3="-2.216892" y3="-3.473858" z3="0.834718">
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                           <atom elementType="C" id="a15" x3="-3.201981" y3="-2.797753" z3="-0.190526">
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                           <atom elementType="C" id="a16" x3="-2.509793" y3="-4.943972" z3="1.237035">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.077619" y3="-6.043974" z3="-0.43013">
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                           <atom elementType="C" id="a18" x3="-3.66525" y3="-5.067134" z3="2.233923">
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                           <atom elementType="C" id="a19" x3="-3.971212" y3="-4.389947" z3="-2.077157">
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                           <atom elementType="C" id="a20" x3="-3.338252" y3="-4.230038" z3="3.485531">
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                           <atom elementType="C" id="a21" x3="-3.018236" y3="-2.792507" z3="3.069595">
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                           <atom elementType="C" id="a22" x3="-2.835329" y3="-1.322935" z3="-0.511716">
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                           <atom elementType="C" id="a23" x3="-6.108498" y3="-3.359207" z3="-3.652583">
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                           <atom elementType="C" id="a24" x3="-7.984266" y3="-7.063932" z3="0.712379">
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                           <atom elementType="C" id="a25" x3="-2.841335" y3="-0.3210" z3="0.628474">
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                           <atom elementType="C" id="a26" x3="-8.986879" y3="-6.784953" z3="1.836208">
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                           <atom elementType="H" id="a32" x3="-2.218314" y3="-3.521401" z3="-1.90801">
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                           <atom elementType="H" id="a33" x3="-7.318445" y3="-7.366058" z3="-1.953266">
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                           </atom>
                           <atom elementType="H" id="a34" x3="-5.520016" y3="-4.122884" z3="-0.549677">
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                           <atom elementType="H" id="a35" x3="-5.335807" y3="-6.459515" z3="-0.308278">
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                           <atom elementType="H" id="a44" x3="-3.754989" y3="-6.122847" z3="2.529452">
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                           <atom elementType="H" id="a46" x3="-3.941715" y3="-2.315378" z3="2.723707">
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                           <atom elementType="H" id="a47" x3="-1.875017" y3="-1.297503" z3="-1.032821">
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                           <atom elementType="H" id="a48" x3="-5.575878" y3="-2.467882" z3="-3.324461">
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                           <atom elementType="H" id="a52" x3="-6.968817" y3="-7.066465" z3="1.127075">
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                           <atom elementType="H" id="a56" x3="-8.82066" y3="-5.796486" z3="2.279233">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-10.01696" y3="-6.812267" z3="1.463764">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a58" x3="-8.901058" y3="-7.52711" z3="2.636057">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a59" x3="-2.82014" y3="0.364897" z3="5.159384">
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                           <atom elementType="H" id="a60" x3="-2.430535" y3="0.300948" z3="3.429253">
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                           <atom elementType="H" id="a61" x3="-4.061919" y3="-0.160174" z3="4.005416">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0336,-.7013,-1.7867;-2.4187,-1.8884,4.5446;-2.0061,-2.7336,2.05;-2.6799,-5.7641,.0908;-4.8743,-4.6153,1.6268;-2.2089,-4.7654,4.1664;-3.6469,-4.9603,-3.121;-6.4904,-4.1648,-2.4437;-3.1241,-3.541,-1.4499;-7.1329,-6.3428,-1.6102;-5.3601,-4.6486,-1.486;-5.6324,-6.1526,-1.3099;-7.3219,-5.3924,-2.7922;-2.2169,-3.4739,.8347;-3.202,-2.7978,-.1905;-2.5098,-4.944,1.237;-8.0776,-6.044,-.4301;-3.6652,-5.0671,2.2339;-3.9712,-4.3899,-2.0772;-3.3383,-4.23,3.4855;-3.0182,-2.7925,3.0696;-2.8353,-1.3229,-.5117;-6.1085,-3.3592,-3.6526;-7.9843,-7.0639,.7124;-2.8413,-.321,.6285;-8.9869,-6.785,1.8362;-2.9935,-.1803,4.2291;-2.6066,-6.685,.3785;-5.6115,-4.8098,2.222;-2.5016,-5.5306,4.6797;-7.0799,-3.5542,-1.8755;-2.2183,-3.5214,-1.908;-7.3184,-7.3661,-1.9533;-5.52,-4.1229,-.5497;-5.3358,-6.4595,-.3083;-5.0336,-6.7069,-2.0362;-8.3476,-5.0707,-2.9783;-6.8961,-5.8029,-3.709;-1.2313,-3.4665,.3559;-4.2193,-2.8344,.1946;-1.6163,-5.2506,1.7949;-7.8889,-5.0392,-.0258;-9.1071,-6.0296,-.8108;-3.755,-6.1228,2.5295;-4.2168,-4.2007,4.1435;-3.9417,-2.3154,2.7237;-1.875,-1.2975,-1.0328;-5.5759,-2.4679,-3.3245;-5.4741,-3.9687,-4.29;-7.0289,-3.0804,-4.1645;-8.1543,-8.0705,.3082;-6.9688,-7.0665,1.1271;-2.0487,-.5726,1.332;-2.664,.6833,.2386;-3.8,-.3231,1.1537;-8.8207,-5.7965,2.2792;-10.017,-6.8123,1.4638;-8.9011,-7.5271,2.6361;-2.8201,.3649,5.1594;-2.4305,.3009,3.4293;-4.0619,-.1602,4.0054;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041167 0.1199102 0.0934793</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033595" y3="-0.701285" z3="-1.786694">
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                           <atom elementType="S" id="a2" x3="-2.418737" y3="-1.888412" z3="4.5446">
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                           <atom elementType="O" id="a3" x3="-2.006042" y3="-2.733628" z3="2.050005">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="-2.679823" y3="-5.764075" z3="0.090836">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a5" x3="-4.874238" y3="-4.615371" z3="1.626757">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a6" x3="-2.208856" y3="-4.765392" z3="4.166451">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646952" y3="-4.960256" z3="-3.120983">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a8" x3="-6.490445" y3="-4.164827" z3="-2.443715">
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                           <atom elementType="N" id="a9" x3="-3.124133" y3="-3.541047" z3="-1.449869">
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                           <atom elementType="C" id="a11" x3="-5.360151" y3="-4.648625" z3="-1.485989">
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                           <atom elementType="C" id="a12" x3="-5.63244" y3="-6.152562" z3="-1.309853">
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                           <atom elementType="C" id="a13" x3="-7.321891" y3="-5.392449" z3="-2.792185">
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                           <atom elementType="C" id="a14" x3="-2.216875" y3="-3.473857" z3="0.834719">
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                           <atom elementType="C" id="a15" x3="-3.201974" y3="-2.797757" z3="-0.190519">
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                           <atom elementType="C" id="a16" x3="-2.509763" y3="-4.943974" z3="1.237036">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="-8.077629" y3="-6.043973" z3="-0.430142">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-3.66522" y3="-5.067146" z3="2.233924">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-3.971225" y3="-4.38993" z3="-2.077159">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="-3.338234" y3="-4.230044" z3="3.485531">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="-3.018225" y3="-2.792512" z3="3.069595">
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                           <atom elementType="C" id="a22" x3="-2.83533" y3="-1.322938" z3="-0.511713">
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                           <atom elementType="C" id="a23" x3="-6.108527" y3="-3.359202" z3="-3.652586">
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                           <atom elementType="C" id="a24" x3="-7.984289" y3="-7.063916" z3="0.71238">
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                           <atom elementType="C" id="a25" x3="-2.841323" y3="-0.3210" z3="0.628475">
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                           <atom elementType="C" id="a26" x3="-8.986919" y3="-6.784927" z3="1.836193">
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                           <atom elementType="C" id="a27" x3="-2.993473" y3="-0.18032" z3="4.229086">
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                           <atom elementType="H" id="a31" x3="-7.079929" y3="-3.554178" z3="-1.875552">
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                           <atom elementType="H" id="a32" x3="-2.218315" y3="-3.521407" z3="-1.908005">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-7.318416" y3="-7.366072" z3="-1.953245">
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                           <atom elementType="H" id="a34" x3="-5.520036" y3="-4.122851" z3="-0.549683">
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                           <atom elementType="H" id="a35" x3="-5.335814" y3="-6.459474" z3="-0.308239">
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                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
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                  </module>
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                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041171 0.1199092 0.0934789</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl" id="a1" x3="-4.033594" y3="-0.701278" z3="-1.786695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-2.418718" y3="-1.888404" z3="4.5446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-2.006034" y3="-2.733621" z3="2.050003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.679828" y3="-5.764069" z3="0.090839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="-4.874235" y3="-4.615349" z3="1.626764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.208847" y3="-4.765386" z3="4.166449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-3.646961" y3="-4.960261" z3="-3.120972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-6.490448" y3="-4.164831" z3="-2.443704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-3.124139" y3="-3.541043" z3="-1.449867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-7.1329" y3="-6.342808" z3="-1.610156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-5.360156" y3="-4.648625" z3="-1.485975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.632443" y3="-6.152563" z3="-1.309835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-7.321879" y3="-5.392459" z3="-2.792188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-2.216873" y3="-3.473851" z3="0.834718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.201974" y3="-2.79775" z3="-0.190518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-2.509763" y3="-4.943967" z3="1.237037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-8.077639" y3="-6.043988" z3="-0.430151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-3.665218" y3="-5.067133" z3="2.233928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-3.971231" y3="-4.389932" z3="-2.077149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-3.338225" y3="-4.230034" z3="3.485534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-3.018214" y3="-2.792502" z3="3.069597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-2.835329" y3="-1.322933" z3="-0.511715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-6.10853" y3="-3.359192" z3="-3.652567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-7.984321" y3="-7.063948" z3="0.712358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="-2.841316" y3="-0.320994" z3="0.628472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="-8.98695" y3="-6.784958" z3="1.83617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="-2.993438" y3="-0.180308" z3="4.229082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-2.60658" y3="-6.685046" z3="0.378528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-5.611492" y3="-4.809847" z3="2.222045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.501604" y3="-5.5306" z3="4.679677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-7.079942" y3="-3.554191" z3="-1.87554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-2.218323" y3="-3.521403" z3="-1.908008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-7.318405" y3="-7.366081" z3="-1.953248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-5.520039" y3="-4.122846" z3="-0.549671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.335829" y3="-6.459469" z3="-0.308215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-5.03356" y3="-6.706906" z3="-2.036146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-8.347554" y3="-5.070738" z3="-2.9784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-6.895997" y3="-5.802948" z3="-3.708981">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-1.231294" y3="-3.466459" z3="0.355858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-4.2193" y3="-2.834396" z3="0.194608">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-1.616272" y3="-5.250563" z3="1.794907">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a42" x3="-7.88891" y3="-5.0392" z3="-0.025782">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-9.107084" y3="-6.029587" z3="-0.810842">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.754954" y3="-6.122846" z3="2.529456">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a45" x3="-4.216796" y3="-4.200731" z3="4.143546">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-3.941694" y3="-2.315374" z3="2.723712">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="-1.875025" y3="-1.297501" z3="-1.032836">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a48" x3="-5.575942" y3="-2.467856" z3="-3.324428">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a49" x3="-5.474089" y3="-3.96865" z3="-4.289937">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-7.028942" y3="-3.080371" z3="-4.164454">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a51" x3="-8.154321" y3="-8.070545" z3="0.308201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a52" x3="-6.968879" y3="-7.066495" z3="1.127072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="-2.048668" y3="-0.572597" z3="1.331958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-2.663986" y3="0.68335" z3="0.238594">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a55" x3="-3.800022" y3="-0.323074" z3="1.153734">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a56" x3="-8.820727" y3="-5.796494" z3="2.2792">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a57" x3="-10.017025" y3="-6.812257" z3="1.463708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a58" x3="-8.901153" y3="-7.527118" z3="2.636018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a59" x3="-2.820111" y3="0.364909" z3="5.159375">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a60" x3="-2.430531" y3="0.30095" z3="3.42924">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a61" x3="-4.061906" y3="-0.160174" z3="4.005428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C18H34ClN2O5S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">391.7209999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/18C.Cl.2N.5O.S.34H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;8;9;3;4;5;6;7;2;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61/rA:61nCl0S0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0336,-.7013,-1.7867;-2.4187,-1.8884,4.5446;-2.006,-2.7336,2.05;-2.6798,-5.7641,.0908;-4.8742,-4.6153,1.6268;-2.2088,-4.7654,4.1664;-3.647,-4.9603,-3.121;-6.4904,-4.1648,-2.4437;-3.1241,-3.541,-1.4499;-7.1329,-6.3428,-1.6102;-5.3602,-4.6486,-1.486;-5.6324,-6.1526,-1.3098;-7.3219,-5.3925,-2.7922;-2.2169,-3.4739,.8347;-3.202,-2.7978,-.1905;-2.5098,-4.944,1.237;-8.0776,-6.044,-.4302;-3.6652,-5.0671,2.2339;-3.9712,-4.3899,-2.0771;-3.3382,-4.23,3.4855;-3.0182,-2.7925,3.0696;-2.8353,-1.3229,-.5117;-6.1085,-3.3592,-3.6526;-7.9843,-7.0639,.7124;-2.8413,-.321,.6285;-8.987,-6.785,1.8362;-2.9934,-.1803,4.2291;-2.6066,-6.685,.3785;-5.6115,-4.8098,2.222;-2.5016,-5.5306,4.6797;-7.0799,-3.5542,-1.8755;-2.2183,-3.5214,-1.908;-7.3184,-7.3661,-1.9532;-5.52,-4.1228,-.5497;-5.3358,-6.4595,-.3082;-5.0336,-6.7069,-2.0361;-8.3476,-5.0707,-2.9784;-6.896,-5.8029,-3.709;-1.2313,-3.4665,.3559;-4.2193,-2.8344,.1946;-1.6163,-5.2506,1.7949;-7.8889,-5.0392,-.0258;-9.1071,-6.0296,-.8108;-3.755,-6.1228,2.5295;-4.2168,-4.2007,4.1435;-3.9417,-2.3154,2.7237;-1.875,-1.2975,-1.0328;-5.5759,-2.4679,-3.3244;-5.4741,-3.9686,-4.2899;-7.0289,-3.0804,-4.1645;-8.1543,-8.0705,.3082;-6.9689,-7.0665,1.1271;-2.0487,-.5726,1.332;-2.664,.6834,.2386;-3.8,-.3231,1.1537;-8.8207,-5.7965,2.2792;-10.017,-6.8123,1.4637;-8.9012,-7.5271,2.636;-2.8201,.3649,5.1594;-2.4305,.3009,3.4292;-4.0619,-.1602,4.0054;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041171 0.1199092 0.0934789</array>
                  </module>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="61">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="61">17 16 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000214098 -0.011631045 -0.016864445</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004045747 -0.004798907 0.007430973</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.017412261 -0.013085878 0.004726226</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.010624838 0.005795011 -0.026966301</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001669161 0.003931968 -0.027055669</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006170606 0.009725397 -0.003000285</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.040947394 -0.016253327 -0.005016617</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.013629952 0.023667110 0.047950337</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.031250369 0.018650183 0.013712376</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000821702 -0.012329594 0.010540392</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.017746085 0.005241885 -0.018732733</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.011680808 -0.024189315 0.026557108</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008169385 -0.025596430 -0.008263665</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003568074 0.001542197 -0.003700294</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.017800713 0.014166885 0.004895285</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006576668 -0.015742242 0.004435066</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.017933154 -0.002588968 -0.016331785</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007696913 0.009020772 -0.004879354</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.082939283 -0.010094793 -0.032818935</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.014525332 -0.004993395 0.011634210</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004493307 -0.031252709 -0.013226940</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.015207645 0.019072456 0.054320805</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.015146729 0.040368775 -0.028269099</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008248215 0.010267587 0.020754818</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008401900 -0.002561601 0.001407130</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002979773 0.011451293 -0.002336292</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005451120 -0.003837313 -0.013159554</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000785477 -0.000855817 0.007794028</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002782035 0.000287220 0.006908186</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000205303 -0.005172106 0.002089572</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.033569620 -0.030817358 0.011935321</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000171193 -0.005372728 0.000806738</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004465726 0.016099326 -0.008092841</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.017839935 -0.031463923 -0.001725430</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010591367 0.004731419 -0.017412391</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.012391675 -0.008285377 -0.002598747</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008385364 0.014837153 -0.005999631</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008517580 0.005397500 0.009318512</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009197046 0.001304075 0.008871327</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000907932 0.001945955 -0.002787803</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001915337 0.022960899 0.009944143</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.014691408 0.001227519 0.015750655</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000832745 0.002937774 0.017589305</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.013073011 -0.000649997 0.011110890</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.009841738 0.000528745 -0.006140839</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.016048464 0.021209637 0.009570012</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000664891 -0.007705743 -0.028001763</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000169076 0.002262017 -0.001389732</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004438671 0.003647248 -0.002368624</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001285769 0.000031232 0.000292013</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.015681398 -0.003329103 -0.012903502</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001924827 -0.000362984 -0.018912120</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002785544 0.001106737 -0.004972475</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000209338 0.002986277 -0.001149514</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000972635 0.003902974 0.002485450</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001050925 -0.004475693 0.004293272</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003330533 -0.002834663 0.003420767</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002205317 -0.003520273 0.000860356</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000980934 -0.001698236 0.004613804</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002012057 0.002181407 0.001229931</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001189693 0.003012883 -0.002171623</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.082939283</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.014950380</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">-2050.29063419</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT171801S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2019-05-31T13:12:53.000</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="61">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="61">Cl S O O O O O N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="61">-0.060404 0.085568 -0.525760 -0.572856 -0.579561 -0.568286 -0.566946 -0.465427 -0.504116 -0.120748 -0.010084 -0.193947 -0.038048 0.164637 -0.009844 0.176399 -0.196056 0.072066 0.613875 0.172794 0.016487 -0.169821 -0.236046 -0.188659 -0.335633 -0.328152 -0.478435 0.335875 0.350546 0.333373 0.364954 0.292040 0.133563 0.206547 0.156437 0.163293 0.182972 0.188309 0.128371 0.125439 0.129366 0.106861 0.117160 0.128877 0.118827 0.138243 0.157342 0.184154 0.178034 0.186715 0.108813 0.109026 0.151189 0.128422 0.127593 0.107458 0.111274 0.110404 0.164727 0.164416 0.156384</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="109">-19.16240 -19.13458 -14.47217 -14.38003 -10.31382 -10.27657 -10.26734 -10.26549 -10.26528 -10.25882 -10.25490 -10.25328 -10.25247 -10.25084 -10.24569 -10.21376 -10.21102 -10.20306 -10.19203 -10.18947 -10.18546 -10.17504 -9.45672 -7.94284 -7.22022 -7.21122 -7.21100 -5.90806 -5.90419 -5.89753 -1.06360 -1.05706 -1.04283 -1.03544 -1.02851 -1.02059 -0.94762 -0.86122 -0.84274 -0.81562 -0.79551 -0.78905 -0.77492 -0.77049 -0.74771 -0.72847 -0.72046 -0.69350 -0.67116 -0.66486 -0.65387 -0.61699 -0.61388 -0.60913 -0.59968 -0.58371 -0.57717 -0.56561 -0.54692 -0.54443 -0.53583 -0.51976 -0.51112 -0.50041 -0.49882 -0.48864 -0.47786 -0.47288 -0.46816 -0.46251 -0.45981 -0.44946 -0.44557 -0.43887 -0.43574 -0.42859 -0.42755 -0.42535 -0.41913 -0.41667 -0.41537 -0.41341 -0.40881 -0.40453 -0.39707 -0.38880 -0.38689 -0.37886 -0.37625 -0.37487 -0.36894 -0.36307 -0.36155 -0.35334 -0.34476 -0.33459 -0.33345 -0.33041 -0.32709 -0.31521 -0.31030 -0.30837 -0.30620 -0.29973 -0.27776 -0.27578 -0.27024 -0.25810 -0.23942</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="469">-0.01677 0.00005 0.02702 0.03574 0.04601 0.05279 0.06616 0.07220 0.07581 0.08028 0.08739 0.09194 0.09428 0.10092 0.11095 0.11275 0.12311 0.12609 0.12738 0.13006 0.13667 0.13981 0.14066 0.14487 0.14844 0.15110 0.15191 0.15910 0.16171 0.16324 0.16717 0.16950 0.17209 0.17674 0.17978 0.18482 0.18631 0.19234 0.19399 0.19847 0.20243 0.20283 0.20801 0.20905 0.21635 0.22084 0.22714 0.22991 0.23813 0.24185 0.24796 0.25314 0.25705 0.26070 0.27050 0.27708 0.27947 0.28317 0.28900 0.29215 0.29468 0.33868 0.35783 0.38729 0.39136 0.39989 0.40658 0.41969 0.43042 0.44401 0.44950 0.45389 0.47053 0.47528 0.48629 0.49223 0.49426 0.50247 0.51183 0.51838 0.52012 0.53331 0.53671 0.54365 0.54738 0.55759 0.55874 0.56144 0.57336 0.58108 0.58568 0.59286 0.59688 0.59819 0.60400 0.60674 0.61218 0.61803 0.62447 0.63148 0.64095 0.64642 0.65166 0.65798 0.66461 0.66901 0.67584 0.68235 0.69868 0.70835 0.71526 0.72497 0.73476 0.74409 0.75555 0.76334 0.76677 0.77042 0.77811 0.79007 0.79062 0.79464 0.80124 0.80686 0.80978 0.81858 0.82232 0.82591 0.83052 0.83424 0.83819 0.83877 0.84701 0.85227 0.85562 0.86356 0.86638 0.87202 0.87374 0.87528 0.87775 0.88135 0.88352 0.89056 0.89795 0.90334 0.90390 0.90625 0.91007 0.91316 0.92079 0.92209 0.92530 0.93272 0.93824 0.94028 0.94336 0.94754 0.95977 0.96333 0.97118 0.97363 0.97913 0.98182 1.00117 1.00728 1.00926 1.01340 1.02812 1.03046 1.03748 1.04501 1.05043 1.05448 1.07027 1.07685 1.08559 1.09632 1.11039 1.11484 1.12489 1.13565 1.14957 1.16132 1.16936 1.17632 1.18477 1.19269 1.20403 1.22100 1.22890 1.23655 1.25931 1.26785 1.27992 1.28816 1.32003 1.33538 1.34818 1.34991 1.36712 1.38337 1.38433 1.39898 1.41678 1.42592 1.43410 1.44053 1.44559 1.45818 1.46416 1.47371 1.48319 1.48791 1.49717 1.51939 1.53231 1.54374 1.55017 1.56463 1.56973 1.57759 1.59284 1.59694 1.60264 1.61451 1.62919 1.63336 1.64996 1.66139 1.67328 1.68161 1.68398 1.68658 1.69482 1.70852 1.71647 1.72977 1.74604 1.74986 1.75417 1.76051 1.76565 1.77661 1.78697 1.79456 1.80848 1.81250 1.82273 1.83246 1.84039 1.84949 1.85808 1.87534 1.87827 1.88026 1.88640 1.88922 1.89388 1.90226 1.90559 1.92084 1.93153 1.94628 1.95260 1.96468 1.97875 1.98811 1.99465 2.00796 2.01192 2.01339 2.02041 2.02394 2.02612 2.03244 2.03760 2.04031 2.04649 2.05182 2.05384 2.05675 2.05999 2.06103 2.06723 2.06968 2.07535 2.07917 2.08122 2.09386 2.10343 2.10914 2.11156 2.11310 2.12212 2.12599 2.12901 2.14014 2.15024 2.15551 2.17298 2.18040 2.19235 2.19616 2.20350 2.23086 2.23403 2.24593 2.25156 2.26859 2.28400 2.29226 2.29656 2.30073 2.31016 2.32806 2.33326 2.33939 2.34087 2.34402 2.35720 2.36100 2.36225 2.37758 2.38221 2.39228 2.39885 2.40718 2.41421 2.41731 2.42563 2.43654 2.44727 2.45715 2.46133 2.47905 2.48511 2.49942 2.50847 2.51095 2.51960 2.53013 2.53762 2.54328 2.55387 2.57131 2.57576 2.59434 2.59642 2.59802 2.61029 2.62066 2.63437 2.63590 2.64155 2.64757 2.66049 2.66514 2.67116 2.67616 2.67793 2.68608 2.69441 2.70434 2.70591 2.72873 2.73176 2.74053 2.74209 2.75062 2.75581 2.76088 2.76909 2.77677 2.78329 2.79235 2.80435 2.80946 2.81367 2.81575 2.82209 2.82812 2.83608 2.84208 2.85064 2.85238 2.86109 2.86973 2.88352 2.88639 2.89682 2.89735 2.91293 2.91865 2.93120 2.94696 2.95217 2.95288 2.95987 2.98129 2.98850 3.01649 3.03864 3.04285 3.07978 3.08701 3.13639 3.17530 3.17596 3.18566 3.20625 3.22390 3.25236 3.27065 3.29153 3.29456 3.32496 3.33914 3.34876 3.35617 3.38239 3.40042 3.40850 3.41736 3.41942 3.42210 3.42517 3.43190 3.43446 3.44858 3.45327 3.45599 3.47278 3.47457 3.47679 3.48784 3.49560 3.50817 3.52180 3.54519 3.54878 3.57867 3.90038 3.94650 3.97083 4.11175 4.14414 4.15971 4.24363 4.26698 4.28574 4.34221 4.36124 4.40690 4.43440 4.44732 4.45306 4.50322 4.51544 4.56013 4.57129 4.63650 4.66294 4.68292 4.73797 4.76134 4.82438 4.86326 4.93476</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="61">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="61">Cl S O O O O O N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="61">-0.130778 0.076451 -0.514099 -0.563692 -0.558388 -0.551979 -0.556628 -0.466054 -0.497962 -0.125058 0.005137 -0.193404 -0.063769 0.171134 0.030824 0.160960 -0.175113 0.119419 0.604293 0.134226 0.009109 -0.174246 -0.205466 -0.182173 -0.316741 -0.327169 -0.478524 0.337107 0.345033 0.342750 0.367877 0.290648 0.135966 0.174596 0.149938 0.141508 0.173903 0.174886 0.129195 0.154044 0.127588 0.099792 0.113074 0.114758 0.121549 0.145871 0.173153 0.177664 0.187997 0.172598 0.104635 0.103358 0.153868 0.132699 0.129689 0.108598 0.109159 0.106989 0.157845 0.156437 0.154914</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-31.8068 -22.5812 -1.5351</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">39.0377</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">38.7056 -47.3980 -154.9216</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">148.1621 18.8628 -1.0682</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">93.2436 7.1400 -100.3836 148.1621 18.8628 -1.0682</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">818.2509 1216.0012 -246.8180 -2.6012 -337.2183 -319.6467 547.5613 555.7063 33.2548 -77.1010</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-14401.4993 -14789.7975 -6537.4999 -3121.0212 2154.3343 -5756.6221 -569.0069 64.4953 263.1253 -2374.3753 -3725.2889 -3617.1557 1191.0771 66.1832 -2405.8674</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2050.2906342</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">1.873E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">2.292E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">69.3243127,5.3084247,-74.6327374,110.1549157,14.0240207,-0.7941745</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C18H34Cl1N2O5S1)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">-4.2933413 -1.6939565 -1.3632897</array>
               </module>
            </module>
            <molecule formalCharge="1" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cl" id="a1" x3="-4.03359446" y3="-0.70127842" z3="-1.78669514">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">0.000004370 -0.000000247 0.000001300</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">-0.000002481 -0.000002345 0.000002647</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">-0.000000598 -0.000002255 0.000002694</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">-0.000000918 -0.000001403 0.000001820</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000001650 -0.000000028 -0.000000036</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">-0.000004205 -0.000002246 0.000002468</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">0.000002627 -0.000000177 0.000001094</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000002551 0.000001582 -0.000001360</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">0.000002226 -0.000001002 0.000001872</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">0.000000237 0.000002142 -0.000002389</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000001273 0.000000511 -0.000000594</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000000036 0.000000733 -0.000001164</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">0.000002282 0.000002097 -0.000002696</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">-0.000000010 -0.000001862 0.000002860</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">0.000001339 -0.000000982 0.000001630</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000001448 -0.000001718 0.000002044</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">-0.000000655 0.000002375 -0.000003469</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">-0.000002285 -0.000001142 0.000000986</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000001956 -0.000000172 0.000000564</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">-0.000003155 -0.000001515 0.000001272</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">-0.000001816 -0.000001816 0.000001964</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">0.000002821 -0.000001340 0.000002201</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">0.000004366 0.000001597 -0.000001251</array>
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               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
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                  <module cmlx:templateRef="l103.init">
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                        <array dataType="xsd:integer" dictRef="g:atom1" size="62">1 2 2 3 3 4 4 5 5 6 6 7 8 8 8 8 9 9 9 10 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 17 18 18 20 20 21 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="62">22 21 27 14 21 16 28 18 29 20 30 19 11 13 23 31 15 19 32 12 13 17 33 12 19 34 35 36 37 38 15 16 39 22 40 18 41 24 42 43 20 44 21 45 46 25 47 48 49 50 26 51 52 53 54 55 56 57 58 59 60 61</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="62">1.8568 1.831 1.8296 1.4385 1.4379 1.4196 0.9676 1.4264 0.9673 1.4233 0.9668 1.2329 1.5585 1.5231 1.5021 1.0214 1.4644 1.3534 1.0153 1.542 1.5284 1.5409 1.0951 1.5385 1.5315 1.0857 1.0888 1.0925 1.091 1.091 1.5744 1.5521 1.0958 1.5533 1.0884 1.531 1.0971 1.5344 1.0994 1.0977 1.5408 1.1 1.5303 1.0981 1.0955 1.5179 1.0929 1.0889 1.0864 1.0895 1.5317 1.0979 1.0969 1.0893 1.0919 1.0932 1.0959 1.0957 1.0945 1.0921 1.0901 1.0918</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="62">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="119">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="119">21 14 16 18 20 11 11 11 13 13 23 15 15 19 12 12 12 13 13 17 8 8 8 12 12 19 10 10 10 11 11 35 8 8 8 10 10 37 3 3 3 15 15 16 9 9 9 14 14 22 4 4 4 14 14 18 10 10 10 24 24 42 5 5 5 16 16 20 7 7 9 6 6 6 18 18 21 2 2 2 3 3 20 1 1 1 15 15 25 8 8 8 48 48 49 17 17 17 26 26 51 22 22 22 53 53 54 24 24 24 56 56 57 2 2 2 59 59 60</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="119">2 3 4 5 6 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="119">27 21 28 29 30 13 23 31 23 31 31 19 32 32 13 17 33 17 33 33 12 19 34 19 34 34 11 35 36 35 36 36 10 37 38 37 38 38 15 16 39 16 39 39 14 22 40 22 40 40 14 18 41 18 41 41 24 42 43 42 43 43 16 20 44 20 44 44 9 11 11 18 21 45 21 45 45 3 20 46 20 46 46 15 25 47 25 47 47 48 49 50 49 50 50 26 51 52 51 52 52 53 54 55 54 55 55 56 57 58 57 58 58 59 60 61 60 61 61</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="119">102.6629 118.3468 107.5009 108.6861 108.1438 106.6367 118.4675 105.2085 112.7656 107.1036 105.8888 133.1322 115.1926 111.1868 101.1992 115.0578 109.9462 113.3197 108.528 108.4986 104.2085 111.5975 105.8334 111.7043 110.4023 112.6223 105.6952 114.1725 109.9584 109.4303 108.8376 108.6171 104.8758 108.3356 106.405 115.5698 111.5708 109.5427 114.89 107.2223 103.5263 117.2255 105.9804 106.8221 107.9861 106.9511 109.6873 113.248 109.8747 109.0123 111.1317 112.8824 110.2854 112.7929 104.054 105.1332 113.8299 110.711 108.1776 108.8571 108.9049 106.0551 109.6973 110.7062 110.4394 108.9679 108.2834 108.6928 121.1947 119.1572 119.648 110.6499 108.5075 110.9922 109.5076 109.3578 107.7654 108.695 108.2614 108.379 112.2342 110.5903 108.5821 107.9111 106.9924 103.4053 118.0658 109.1539 110.2604 108.7148 108.6485 107.4932 110.5097 110.1999 111.1799 112.6706 109.0214 109.8387 109.6163 109.2089 106.2834 109.2563 109.7744 111.293 108.9595 109.1124 108.4066 111.1996 111.1888 111.1841 107.6075 107.7156 107.7716 105.6237 112.1173 111.0971 108.8244 108.6991 110.2985</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="119">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="181">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="181">27 27 27 21 21 21 21 21 21 14 14 14 28 28 28 29 29 29 30 30 30 13 13 13 23 23 23 31 31 31 11 11 11 23 23 23 31 31 31 11 11 11 13 13 13 31 31 31 19 19 19 32 32 32 15 15 32 32 13 13 13 17 17 17 33 33 33 12 12 12 17 17 17 33 33 33 12 12 12 13 13 13 33 33 33 8 8 8 19 19 19 34 34 34 8 8 12 12 34 34 3 3 3 16 16 16 39 39 39 3 3 3 15 15 15 39 39 39 9 9 9 14 14 14 40 40 40 4 4 4 14 14 14 41 41 41 10 10 10 42 42 42 43 43 43 5 5 5 16 16 16 44 44 44 6 6 6 18 18 18 45 45 45 1 1 1 15 15 15 47 47 47 17 17 17 51 51 51 52 52 52</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="181">2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="181">21 21 21 27 27 27 14 14 14 21 21 21 16 16 16 18 18 18 20 20 20 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 23 23 23 23 23 23 23 23 23 15 15 15 15 15 15 19 19 19 19 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 12 12 12 12 12 12 12 12 12 19 19 19 19 19 19 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 24 24 24 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="181">3 20 46 59 60 61 15 16 39 2 20 46 14 18 41 16 20 44 18 21 45 12 19 34 12 19 34 12 19 34 10 37 38 10 37 38 10 37 38 48 49 50 48 49 50 48 49 50 14 22 40 14 22 40 7 11 7 11 11 35 36 11 35 36 11 35 36 8 37 38 8 37 38 8 37 38 24 42 43 24 42 43 24 42 43 10 35 36 10 35 36 10 35 36 7 9 7 9 7 9 9 22 40 9 22 40 9 22 40 4 18 41 4 18 41 4 18 41 1 25 47 1 25 47 1 25 47 5 20 44 5 20 44 5 20 44 26 51 52 26 51 52 26 51 52 6 21 45 6 21 45 6 21 45 2 3 46 2 3 46 2 3 46 53 54 55 53 54 55 53 54 55 56 57 58 56 57 58 56 57 58</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="181">89.4013 -148.4368 -30.8409 170.1038 -71.5164 52.4126 78.3694 -53.8394 -166.5577 174.9901 55.2737 -66.1477 164.1824 -67.9432 49.3214 172.4239 -67.2845 53.1476 -78.7898 161.0463 42.812 -1.2859 119.413 -117.7476 -129.7072 -9.0082 113.8312 112.2499 -127.0512 -4.2118 26.1212 150.0729 -92.2217 157.7969 -78.2514 39.454 -86.114 37.8377 155.5431 -58.2009 62.1139 -177.477 176.2963 -63.3888 57.0202 59.4841 179.7989 -59.7921 107.8695 -129.9361 -11.8519 -63.2391 58.9553 177.0394 -176.0327 4.0913 -4.6596 175.4645 39.6614 159.9846 -77.6526 -82.8889 37.4342 159.7971 154.2727 -85.4041 36.9587 -40.1152 -159.3195 74.6714 83.6307 -35.5737 -161.5827 -155.7812 85.0144 -40.9946 -69.2708 53.7357 169.5429 174.9429 -62.0506 53.7566 54.3382 177.3447 -66.8481 -23.8605 -147.238 94.2055 -144.4879 92.1346 -26.4219 89.372 -34.0056 -152.562 -63.2659 116.6126 52.9465 -127.175 177.861 -2.2605 170.1059 51.8707 -70.291 -62.6096 179.1553 56.9935 56.4604 -61.7747 176.0635 -177.6911 54.3861 -59.0114 51.3881 -76.5347 170.0678 -67.2321 164.8451 51.4476 58.4744 179.8326 -53.2526 177.3085 -61.3333 65.5815 -60.05 61.3082 -171.777 -63.035 175.622 57.5571 63.9643 -57.3787 -175.4436 176.702 55.359 -62.706 -176.8942 -54.9667 61.1164 59.0921 -178.9803 -62.8973 -56.1142 65.8134 -178.1035 174.1113 -66.3248 51.5514 -65.1628 54.4011 172.2773 52.644 172.2079 -69.9159 -51.6334 68.3357 -169.0991 -172.5056 -52.5366 70.0287 68.6281 -171.4029 -48.8376 -171.9792 -52.5523 67.4642 66.193 -174.38 -54.3636 -60.189 59.2379 179.2544 -60.1103 59.7794 179.8664 178.299 -61.8112 58.2757 62.2341 -177.8761 -57.7892</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="181">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="177">0.00031 0.00143 0.00179 0.00235 0.00243 0.00271 0.00302 0.00321 0.00332 0.00352 0.00371 0.00444 0.00492 0.00527 0.00603 0.00732 0.01045 0.01192 0.01240 0.01372 0.01935 0.02292 0.02619 0.02879 0.03181 0.03269 0.03312 0.03563 0.03673 0.03798 0.03883 0.03966 0.04021 0.04043 0.04094 0.04198 0.04277 0.04496 0.04565 0.04594 0.04597 0.04606 0.04694 0.04735 0.04832 0.04873 0.04889 0.04927 0.05031 0.05095 0.05165 0.05289 0.05391 0.05494 0.05628 0.05901 0.06018 0.06133 0.06214 0.06577 0.06661 0.06743 0.06889 0.07045 0.07229 0.07386 0.07601 0.07771 0.07898 0.07981 0.08133 0.08383 0.08996 0.09334 0.09457 0.09956 0.10077 0.10786 0.11558 0.11730 0.12282 0.12360 0.12688 0.12979 0.13086 0.13135 0.13593 0.13807 0.14002 0.14399 0.14615 0.15413 0.15499 0.15820 0.15981 0.16022 0.16510 0.17153 0.17312 0.17561 0.17786 0.18067 0.18263 0.18305 0.18463 0.19381 0.19705 0.19991 0.20490 0.20635 0.21199 0.21876 0.22002 0.22453 0.22759 0.23043 0.23165 0.23625 0.25207 0.25233 0.25600 0.27038 0.27171 0.27931 0.28115 0.28390 0.28703 0.29338 0.29805 0.30704 0.30905 0.31036 0.31615 0.31941 0.32388 0.32475 0.32731 0.32751 0.33242 0.33309 0.33435 0.33635 0.33691 0.33727 0.33778 0.33937 0.34143 0.34270 0.34456 0.34468 0.34484 0.34495 0.34610 0.34683 0.35013 0.35179 0.35201 0.35295 0.35535 0.35544 0.35644 0.36012 0.36096 0.36138 0.36492 0.37750 0.38530 0.40190 0.43513 0.45361 0.47403 0.51943 0.52207 0.52450 0.53522 0.78732 0.79619</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 72.94 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">0.00000766 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000000 0.00000000</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
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                        <array dataType="xsd:string" dictRef="cc:variable" size="362">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181</array>
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                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="180">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="180">27 27 27 21 21 21 21 21 21 14 14 14 28 28 28 29 29 29 30 30 30 13 13 13 23 23 23 31 31 31 11 11 11 23 23 23 31 31 31 11 11 11 13 13 13 31 31 31 19 19 19 32 32 32 15 15 32 32 13 13 13 17 17 17 33 33 33 12 12 12 17 17 17 33 33 33 12 12 12 13 13 13 33 33 33 8 8 8 19 19 19 34 34 34 8 8 12 12 34 34 3 3 3 16 16 16 39 39 39 3 3 3 15 15 15 39 39 39 9 9 9 14 14 14 40 40 40 4 4 4 14 14 14 41 41 41 10 10 10 42 42 42 43 43 43 5 5 5 16 16 16 44 44 44 6 6 6 18 18 18 45 45 45 1 1 1 15 15 15 47 47 47 17 17 17 51 51 51 52 52</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="180">2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 24 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="180">21 21 21 27 27 27 14 14 14 21 21 21 16 16 16 18 18 18 20 20 20 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 23 23 23 23 23 23 23 23 23 15 15 15 15 15 15 19 19 19 19 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 12 12 12 12 12 12 12 12 12 19 19 19 19 19 19 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 18 18 18 18 18 18 18 18 18 24 24 24 24 24 24 24 24 24 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="180">3 20 46 59 60 61 15 16 39 2 20 46 14 18 41 16 20 44 18 21 45 12 19 34 12 19 34 12 19 34 10 37 38 10 37 38 10 37 38 48 49 50 48 49 50 48 49 50 14 22 40 14 22 40 7 11 7 11 11 35 36 11 35 36 11 35 36 8 37 38 8 37 38 8 37 38 24 42 43 24 42 43 24 42 43 10 35 36 10 35 36 10 35 36 7 9 7 9 7 9 9 22 40 9 22 40 9 22 40 4 18 41 4 18 41 4 18 41 1 25 47 1 25 47 1 25 47 5 20 44 5 20 44 5 20 44 26 51 52 26 51 52 26 51 52 6 21 45 6 21 45 6 21 45 2 3 46 2 3 46 2 3 46 53 54 55 53 54 55 53 54 55 56 57 58 56 57 58 56 57</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="180">89.4013 -148.4368 -30.8409 170.1038 -71.5164 52.4126 78.3694 -53.8394 -166.5577 174.9901 55.2737 -66.1477 164.1824 -67.9432 49.3214 172.4239 -67.2845 53.1476 -78.7898 161.0463 42.812 -1.2859 119.413 -117.7476 -129.7072 -9.0082 113.8312 112.2499 -127.0512 -4.2118 26.1212 150.0729 -92.2217 157.7969 -78.2514 39.454 -86.114 37.8377 155.5431 -58.2009 62.1139 -177.477 176.2963 -63.3888 57.0202 59.4841 179.7989 -59.7921 107.8695 -129.9361 -11.8519 -63.2391 58.9553 177.0394 -176.0327 4.0913 -4.6596 175.4645 39.6614 159.9846 -77.6526 -82.8889 37.4342 159.7971 154.2727 -85.4041 36.9587 -40.1152 -159.3195 74.6714 83.6307 -35.5737 -161.5827 -155.7812 85.0144 -40.9946 -69.2708 53.7357 169.5429 174.9429 -62.0506 53.7566 54.3382 177.3447 -66.8481 -23.8605 -147.238 94.2055 -144.4879 92.1346 -26.4219 89.372 -34.0056 -152.562 -63.2659 116.6126 52.9465 -127.175 177.861 -2.2605 170.1059 51.8707 -70.291 -62.6096 179.1553 56.9935 56.4604 -61.7747 176.0635 -177.6911 54.3861 -59.0114 51.3881 -76.5347 170.0678 -67.2321 164.8451 51.4476 58.4744 179.8326 -53.2526 177.3085 -61.3333 65.5815 -60.05 61.3082 -171.777 -63.035 175.622 57.5571 63.9643 -57.3787 -175.4436 176.702 55.359 -62.706 -176.8942 -54.9667 61.1164 59.0921 -178.9803 -62.8973 -56.1142 65.8134 -178.1035 174.1113 -66.3248 51.5514 -65.1628 54.4011 172.2773 52.644 172.2079 -69.9159 -51.6334 68.3357 -169.0991 -172.5056 -52.5366 70.0287 68.6281 -171.4029 -48.8376 -171.9792 -52.5523 67.4642 66.193 -174.38 -54.3636 -60.189 59.2379 179.2544 -60.1103 59.7794 179.8664 178.299 -61.8112 58.2757 62.2341 -177.8761</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="180">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">6-31G(d,p)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 7F)</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:natoms">61</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">61</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">61</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">T</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2041171 0.1199092 0.0934789</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">-2050.29063419</scalar>
               </module>
               <module cmlx:templateRef="l1102">
                  <list cmlx:templateRef="l1102">
                     <scalar dataType="xsd:string" dictRef="g:l1102">Symmetrizing basis deriv contribution to polar:</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1102">IMax=3 JMax=2 DiffMx= 0.00D+00</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l1002.minotr">
                  <list cmlx:templateRef="l1002">
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11111111111111111111111111111111111111111111111111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11111111111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  78.3553, EpsInf=   1.7778)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to electric field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">with respect to dipole field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to nuclear coordinates.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu exits because no D1Ps are significant.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   186 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">183 vectors produced by pass  0 Test12= 5.35D-14 1.00D-09 XBig12= 1.70D+02 2.59D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form    72 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">183 vectors produced by pass  1 Test12= 5.35D-14 1.00D-09 XBig12= 1.52D+01 6.12D-01.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">183 vectors produced by pass  2 Test12= 5.35D-14 1.00D-09 XBig12= 1.56D-01 2.73D-02.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">183 vectors produced by pass  3 Test12= 5.35D-14 1.00D-09 XBig12= 4.74D-04 1.47D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">183 vectors produced by pass  4 Test12= 5.35D-14 1.00D-09 XBig12= 6.77D-07 5.29D-05.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">98 vectors produced by pass  5 Test12= 5.35D-14 1.00D-09 XBig12= 6.78D-10 2.26D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">7 vectors produced by pass  6 Test12= 5.35D-14 1.00D-09 XBig12= 6.13D-13 7.39D-08.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 5.35D-14 1.00D-09 XBig12= 6.16D-16 2.77D-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  1023 with   186 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      316.63 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">PT36723.200S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2019-05-31T13:51:48.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="109">-19.16240 -19.13458 -14.47217 -14.38003 -10.31382 -10.27657 -10.26734 -10.26549 -10.26528 -10.25882 -10.25490 -10.25328 -10.25247 -10.25084 -10.24569 -10.21376 -10.21102 -10.20306 -10.19203 -10.18947 -10.18546 -10.17504 -9.45672 -7.94284 -7.22022 -7.21122 -7.21100 -5.90806 -5.90419 -5.89753 -1.06360 -1.05706 -1.04283 -1.03544 -1.02851 -1.02059 -0.94762 -0.86122 -0.84274 -0.81562 -0.79551 -0.78905 -0.77492 -0.77049 -0.74771 -0.72847 -0.72046 -0.69350 -0.67116 -0.66486 -0.65387 -0.61699 -0.61388 -0.60913 -0.59968 -0.58371 -0.57717 -0.56561 -0.54692 -0.54443 -0.53583 -0.51976 -0.51112 -0.50041 -0.49882 -0.48864 -0.47786 -0.47288 -0.46816 -0.46251 -0.45981 -0.44946 -0.44557 -0.43887 -0.43574 -0.42859 -0.42755 -0.42535 -0.41913 -0.41667 -0.41537 -0.41341 -0.40881 -0.40453 -0.39707 -0.38880 -0.38689 -0.37886 -0.37625 -0.37487 -0.36894 -0.36307 -0.36155 -0.35334 -0.34476 -0.33459 -0.33345 -0.33041 -0.32709 -0.31521 -0.31030 -0.30837 -0.30620 -0.29973 -0.27776 -0.27578 -0.27024 -0.25810 -0.23942</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="469">-0.01677 0.00005 0.02702 0.03574 0.04601 0.05279 0.06616 0.07220 0.07581 0.08028 0.08739 0.09194 0.09428 0.10092 0.11095 0.11275 0.12311 0.12609 0.12738 0.13006 0.13667 0.13981 0.14066 0.14487 0.14844 0.15110 0.15191 0.15910 0.16171 0.16324 0.16717 0.16950 0.17209 0.17674 0.17978 0.18482 0.18631 0.19234 0.19399 0.19847 0.20243 0.20283 0.20801 0.20905 0.21635 0.22084 0.22714 0.22991 0.23813 0.24185 0.24796 0.25314 0.25705 0.26070 0.27050 0.27708 0.27947 0.28317 0.28900 0.29215 0.29468 0.33868 0.35783 0.38729 0.39136 0.39989 0.40658 0.41969 0.43042 0.44401 0.44950 0.45389 0.47053 0.47528 0.48629 0.49223 0.49426 0.50247 0.51183 0.51838 0.52012 0.53331 0.53671 0.54365 0.54738 0.55759 0.55874 0.56144 0.57336 0.58108 0.58568 0.59286 0.59688 0.59819 0.60400 0.60674 0.61218 0.61803 0.62447 0.63148 0.64095 0.64642 0.65166 0.65798 0.66461 0.66901 0.67584 0.68235 0.69868 0.70835 0.71526 0.72497 0.73476 0.74409 0.75555 0.76334 0.76677 0.77042 0.77811 0.79007 0.79062 0.79464 0.80124 0.80686 0.80978 0.81858 0.82232 0.82591 0.83052 0.83424 0.83819 0.83877 0.84701 0.85227 0.85562 0.86356 0.86638 0.87202 0.87374 0.87528 0.87775 0.88135 0.88352 0.89056 0.89795 0.90334 0.90390 0.90625 0.91007 0.91316 0.92079 0.92209 0.92530 0.93272 0.93824 0.94028 0.94336 0.94754 0.95977 0.96333 0.97118 0.97363 0.97913 0.98182 1.00117 1.00728 1.00926 1.01340 1.02812 1.03046 1.03748 1.04501 1.05043 1.05448 1.07027 1.07685 1.08559 1.09632 1.11039 1.11484 1.12489 1.13565 1.14957 1.16132 1.16936 1.17632 1.18477 1.19269 1.20403 1.22100 1.22890 1.23655 1.25931 1.26785 1.27992 1.28816 1.32003 1.33538 1.34818 1.34991 1.36712 1.38337 1.38433 1.39898 1.41678 1.42592 1.43410 1.44053 1.44559 1.45818 1.46416 1.47371 1.48319 1.48791 1.49717 1.51939 1.53231 1.54374 1.55017 1.56463 1.56973 1.57759 1.59284 1.59694 1.60264 1.61451 1.62919 1.63336 1.64996 1.66139 1.67328 1.68161 1.68398 1.68658 1.69482 1.70852 1.71647 1.72977 1.74604 1.74986 1.75417 1.76051 1.76565 1.77661 1.78697 1.79456 1.80848 1.81250 1.82273 1.83246 1.84039 1.84949 1.85808 1.87534 1.87827 1.88026 1.88640 1.88922 1.89388 1.90226 1.90559 1.92084 1.93153 1.94628 1.95260 1.96468 1.97875 1.98811 1.99465 2.00796 2.01192 2.01339 2.02041 2.02394 2.02612 2.03244 2.03760 2.04031 2.04649 2.05182 2.05384 2.05675 2.05999 2.06103 2.06723 2.06968 2.07535 2.07917 2.08122 2.09386 2.10343 2.10914 2.11156 2.11310 2.12212 2.12599 2.12901 2.14014 2.15024 2.15551 2.17298 2.18040 2.19235 2.19616 2.20350 2.23086 2.23403 2.24593 2.25156 2.26859 2.28400 2.29226 2.29656 2.30073 2.31016 2.32806 2.33326 2.33939 2.34087 2.34402 2.35720 2.36100 2.36225 2.37758 2.38221 2.39228 2.39885 2.40718 2.41421 2.41731 2.42563 2.43654 2.44727 2.45715 2.46133 2.47905 2.48511 2.49942 2.50847 2.51095 2.51960 2.53013 2.53762 2.54328 2.55387 2.57131 2.57576 2.59434 2.59642 2.59802 2.61029 2.62066 2.63437 2.63590 2.64155 2.64757 2.66049 2.66514 2.67116 2.67616 2.67793 2.68608 2.69441 2.70434 2.70591 2.72873 2.73176 2.74053 2.74209 2.75062 2.75581 2.76088 2.76909 2.77677 2.78329 2.79235 2.80435 2.80946 2.81367 2.81575 2.82209 2.82812 2.83608 2.84208 2.85064 2.85238 2.86109 2.86973 2.88352 2.88639 2.89682 2.89735 2.91293 2.91865 2.93120 2.94696 2.95217 2.95288 2.95987 2.98129 2.98850 3.01649 3.03864 3.04285 3.07978 3.08701 3.13639 3.17530 3.17596 3.18566 3.20625 3.22390 3.25236 3.27065 3.29153 3.29456 3.32496 3.33914 3.34876 3.35617 3.38239 3.40042 3.40850 3.41736 3.41942 3.42210 3.42517 3.43190 3.43446 3.44858 3.45327 3.45599 3.47278 3.47457 3.47679 3.48784 3.49560 3.50817 3.52180 3.54519 3.54878 3.57867 3.90038 3.94650 3.97083 4.11175 4.14414 4.15971 4.24363 4.26698 4.28574 4.34221 4.36124 4.40690 4.43440 4.44732 4.45306 4.50322 4.51544 4.56013 4.57129 4.63650 4.66294 4.68292 4.73797 4.76134 4.82438 4.86326 4.93476</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="61">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="61">Cl S O O O O O N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="61">-0.130778 0.076451 -0.514099 -0.563691 -0.558388 -0.551979 -0.556629 -0.466054 -0.497961 -0.125058 0.005137 -0.193404 -0.063769 0.171134 0.030825 0.160960 -0.175113 0.119418 0.604293 0.134226 0.009109 -0.174246 -0.205466 -0.182173 -0.316741 -0.327169 -0.478524 0.337107 0.345033 0.342750 0.367877 0.290648 0.135966 0.174596 0.149938 0.141508 0.173903 0.174886 0.129195 0.154044 0.127588 0.099792 0.113074 0.114758 0.121549 0.145871 0.173153 0.177664 0.187997 0.172598 0.104635 0.103358 0.153868 0.132699 0.129689 0.108598 0.109159 0.106989 0.157845 0.156437 0.154914</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="27">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="27">Cl S O O O O O N N C C C C C C C C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="27">-0.130778 0.076451 -0.514099 -0.226584 -0.213355 -0.209229 -0.556629 -0.098177 -0.207313 0.010908 0.179733 0.098042 0.285021 0.300329 0.184868 0.288548 0.037753 0.234176 0.604293 0.255775 0.154981 -0.001093 0.332793 0.025820 0.099514 -0.002422 -0.009328</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">290.260 14.370 321.593 20.811 12.015 338.034</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">324.156 3.651 343.129 19.973 16.830 358.015</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">-7.7624 -5.9054 0.0022 0.0027 0.0030 7.0478 16.9552 25.1439 30.8821</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
                        <array dataType="xsd:integer" dictRef="x:serial" size="177">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="177">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
                        <array dataType="xsd:double" dictRef="cc:frequency" size="177">11.7221 24.9668 30.8605 39.5704 50.5623 55.9501 58.1374 68.1638 75.8734 92.0250 96.1035 106.9081 124.2650 142.6084 161.0223 171.5987 181.2310 189.6241 195.0216 213.4537 217.2798 226.8322 233.7595 243.2979 247.8643 253.2787 262.6010 263.7750 282.2608 290.4816 300.6565 308.1513 312.1042 328.4589 332.3120 347.4306 358.7676 372.2528 383.9376 414.9350 425.4562 432.2739 448.5827 460.4756 502.4767 515.2167 574.2357 584.6214 616.1011 630.6809 647.6955 675.6227 697.8496 710.9914 719.7466 726.6645 753.3273 764.7825 784.3736 792.9489 838.0239 852.3885 859.7212 892.6446 902.0652 918.5853 924.4335 937.2847 950.9786 961.9460 968.1520 981.9321 983.7538 997.6706 999.3333 1034.2091 1035.8420 1052.5508 1054.8624 1058.8448 1065.6558 1075.1183 1088.1372 1091.4120 1110.4722 1112.0182 1125.9199 1136.2897 1140.2641 1141.2742 1153.5874 1161.5355 1196.7271 1210.6560 1224.3272 1227.3137 1233.1285 1244.6737 1262.4473 1265.8883 1276.0478 1287.6646 1291.9160 1303.8100 1306.5515 1325.5367 1327.3422 1341.7692 1347.2948 1353.1606 1354.7299 1356.6518 1367.0069 1373.4655 1383.5253 1388.3594 1388.5108 1400.1428 1407.6768 1416.4390 1421.0207 1421.5477 1424.3265 1434.5179 1441.0626 1442.7998 1459.4594 1465.1235 1473.8838 1474.5821 1486.4803 1487.3799 1495.8858 1496.5677 1497.2368 1500.6434 1503.4479 1511.6030 1512.6751 1513.8176 1515.9579 1517.6209 1740.0958 3011.2968 3017.9174 3032.0410 3037.6891 3038.3485 3049.2826 3052.6788 3066.1751 3067.0405 3069.4826 3071.7956 3071.9176 3082.0007 3101.8516 3102.6239 3103.9843 3105.2814 3109.7455 3112.5279 3145.1526 3156.6204 3162.8821 3169.4320 3172.5226 3175.5456 3177.8572 3190.2359 3196.3982 3224.8387 3494.1912 3569.6246 3801.2446 3810.2633 3819.0484</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="177">3.8461 4.3995 4.9401 4.9196 2.6545 4.2467 5.4163 2.1532 3.2823 3.8135 4.5838 5.3033 3.6592 4.2487 4.2230 3.4818 1.5423 2.9991 3.1512 3.0144 2.4899 1.8022 2.8087 3.5548 1.2364 3.9065 3.0524 1.5391 1.7546 2.2216 3.0743 1.8594 2.2627 2.0314 1.4995 2.9100 3.0545 3.8711 3.1287 3.3388 3.5477 2.6837 4.4684 2.4620 4.8155 4.2555 6.5766 5.6056 3.9326 1.6908 4.2449 2.6107 3.7780 6.1460 4.8962 2.9634 1.2563 3.9696 4.4313 4.1207 2.5313 3.4584 1.8965 2.1241 2.8559 2.1520 2.1163 2.0111 2.8500 2.2106 2.0141 1.1959 2.8432 1.4506 2.5098 2.6397 2.0051 2.5398 3.0780 3.5305 1.7753 2.3134 1.9206 2.8132 3.6440 1.5127 3.6390 2.7963 3.3813 1.5620 1.5932 2.7648 1.5297 1.0932 1.1610 1.5847 1.2123 1.3788 1.2460 1.3011 1.2142 1.3210 1.3537 1.5604 1.3173 1.2826 1.3001 1.2786 1.2288 1.2456 1.4375 1.3024 1.2336 1.1692 1.3700 1.3713 1.3293 1.1997 1.3306 1.4480 1.2620 1.3103 1.2329 1.2641 1.4817 1.4775 1.1710 1.4894 1.5705 1.0569 1.0510 1.0684 1.0762 1.0714 1.0572 1.0703 1.0416 1.0581 1.0878 1.0765 1.7958 1.0902 6.6144 1.0851 1.0616 1.0607 1.0361 1.0860 1.0841 1.0981 1.0781 1.0445 1.0607 1.0535 1.1000 1.0891 1.0352 1.0620 1.0865 1.1029 1.0603 1.1021 1.1032 1.1053 1.0870 1.1070 1.1113 1.0995 1.1006 1.0879 1.1087 1.1082 1.0771 1.0751 1.0665 1.0667 1.0669</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="177">0.0003 0.0016 0.0028 0.0045 0.0040 0.0078 0.0108 0.0059 0.0111 0.0190 0.0249 0.0357 0.0333 0.0509 0.0645 0.0604 0.0298 0.0635 0.0706 0.0809 0.0693 0.0546 0.0904 0.1240 0.0448 0.1476 0.1240 0.0631 0.0824 0.1104 0.1637 0.1040 0.1299 0.1291 0.0976 0.2070 0.2316 0.3161 0.2717 0.3387 0.3784 0.2955 0.5298 0.3076 0.7163 0.6655 1.2777 1.1288 0.8795 0.3963 1.0492 0.7021 1.0840 1.8305 1.4944 0.9220 0.4201 1.3680 1.6063 1.5265 1.0474 1.4805 0.8259 0.9972 1.3692 1.0699 1.0656 1.0409 1.5186 1.2052 1.1123 0.6794 1.6212 0.8507 1.4768 1.6635 1.2676 1.6578 2.0180 2.3321 1.1878 1.5755 1.3398 1.9744 2.6476 1.1021 2.7180 2.1272 2.5902 1.1987 1.2491 2.1978 1.2908 0.9440 1.0254 1.4064 1.0862 1.2585 1.1701 1.2285 1.1649 1.2905 1.3311 1.5629 1.3249 1.3277 1.3495 1.3562 1.3142 1.3438 1.5544 1.4123 1.3582 1.2995 1.5451 1.5574 1.5099 1.3857 1.5535 1.7117 1.5015 1.5601 1.4736 1.5327 1.8129 1.8121 1.4695 1.8837 2.0100 1.3540 1.3683 1.3927 1.4189 1.4139 1.3964 1.4200 1.3871 1.4245 1.4666 1.4535 2.4315 1.4794 11.8001 5.7971 5.6968 5.7454 5.6331 5.9070 5.9391 6.0291 5.9718 5.7890 5.8881 5.8570 6.1158 6.0953 5.8685 6.0234 6.1677 6.2661 6.0412 6.2905 6.4295 6.4890 6.4069 6.5521 6.5902 6.5323 6.5487 6.5238 6.6738 6.7905 7.7480 8.0715 9.0796 9.1244 9.1679</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="177">0.5074 1.6124 1.5333 3.7686 1.2036 1.4916 1.2514 2.9561 2.0939 1.4890 8.1687 7.7864 2.4010 9.1542 3.4404 2.7947 0.7423 1.3393 3.3015 7.9743 47.6986 58.2624 16.7901 45.2594 0.7085 2.9598 19.6033 11.1917 17.3662 4.2457 27.0044 121.2854 61.1324 62.1020 115.3329 14.3326 1.7709 4.6052 8.8465 16.8921 48.8349 15.5166 10.4308 1.5304 13.0293 7.3397 1.4404 33.2126 19.3265 78.0038 63.7590 5.0105 42.2493 3.4346 24.0173 148.1797 13.9626 22.0749 21.6654 35.2161 5.1105 42.1314 12.6449 3.2780 26.0187 0.8505 10.2023 8.6952 25.4119 22.2637 8.9193 6.4852 13.4218 7.7332 28.1089 5.2209 32.6264 26.8087 131.4900 353.6148 21.0433 23.6421 37.0076 45.5889 166.8471 7.3302 46.7897 28.8999 2.6418 5.0315 12.2208 26.0934 3.5594 53.5928 88.3459 14.3833 66.7032 2.2170 24.0327 19.0762 16.2283 7.1772 14.0049 17.1517 38.2638 3.1463 3.2710 18.8268 22.6965 15.8958 108.3201 9.1056 20.7789 28.0497 4.1187 16.3228 7.7390 4.1271 7.0169 23.5978 1.3913 1.8721 9.3595 54.8480 21.6878 10.1387 36.5913 16.0154 128.2946 10.6574 16.6648 4.9793 22.5152 28.4127 21.2991 3.5423 6.7913 7.6127 27.0086 21.3193 105.7382 11.3725 674.1344 74.3856 25.6298 60.0621 45.5166 47.1283 24.2277 6.2271 71.5891 16.4054 10.0373 28.6637 34.7028 47.3816 7.5292 18.3955 12.3930 95.9634 22.6460 56.4315 31.2676 10.2540 5.2865 10.2326 6.4509 4.5020 4.2569 4.7336 0.9443 0.3581 72.2284 49.0357 53.9681 59.5373 85.4055</array>
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