<?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:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:o="http://www.iochem-bd.org/dictionary/orca/"
        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="orca.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">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">4.2.1</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
                  <list cmlx:templateRef="group">
                     <array dataType="xsd:integer" dictRef="o:group" size="6">1 2 3 4 5 6</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="6">14s9p5d1f 7s4p1d 7s4p1d 4s1p 7s4p1d 10s7p6d</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="6">5s3p2d1f 3s2p1d 3s2p1d 2s1p 3s2p1d 4s4p2d</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="88">1 1 2 3 3 3 4 4 5 4 3 4 4 3 4 4 5 4 3 4 4 3 3 2 3 3 4 4 5 4 3 4 4 3 4 4 5 4 3 4 4 3 3 4 3 4 3 4 3 4 2 3 2 3 4 4 4 3 3 3 3 2 3 3 3 4 3 4 3 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 3 2 2 6</array>
                  </list>
               </module>
               <module cmlx:templateRef="basisecp">
                  <module cmlx:templateRef="basisgroups">
                     <list cmlx:templateRef="group">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">I</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">87</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">I</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="basisecp">
                  <module cmlx:templateRef="basisgroups">
                     <list cmlx:templateRef="group">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">I</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">87</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">I</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="Zn"
                        id="a1"
                        x3="-2.072311"
                        y3="1.789334"
                        z3="0.045719"/>
                  <atom elementType="Zn"
                        id="a2"
                        x3="-0.073641"
                        y3="-0.574935"
                        z3="-0.301917"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-2.000088"
                        y3="-0.171421"
                        z3="0.489238"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-2.995712"
                        y3="-1.013444"
                        z3="0.754943"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-4.134707"
                        y3="-0.567226"
                        z3="1.492113"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-4.1857"
                        y3="0.854723"
                        z3="1.968542"/>
                  <atom elementType="H"
                        id="a7"
                        x3="-5.131846"
                        y3="1.013136"
                        z3="2.531284"/>
                  <atom elementType="H"
                        id="a8"
                        x3="-3.344544"
                        y3="1.075187"
                        z3="2.663418"/>
                  <atom elementType="N"
                        id="a9"
                        x3="-4.097038"
                        y3="1.827411"
                        z3="0.837075"/>
                  <atom elementType="H"
                        id="a10"
                        x3="-4.563919"
                        y3="1.396411"
                        z3="0.023576"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-4.779597"
                        y3="3.109231"
                        z3="1.136431"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-4.733256"
                        y3="3.259882"
                        z3="2.235857"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-5.859687"
                        y3="3.034207"
                        z3="0.878236"/>
                  <atom elementType="C"
                        id="a14"
                        x3="-2.775937"
                        y3="4.671274"
                        z3="1.042169"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-2.543272"
                        y3="5.751597"
                        z3="0.895569"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-2.784585"
                        y3="4.502515"
                        z3="2.140734"/>
                  <atom elementType="N"
                        id="a17"
                        x3="-1.688028"
                        y3="3.849958"
                        z3="0.475712"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-1.519532"
                        y3="4.169708"
                        z3="-0.492931"/>
                  <atom elementType="C"
                        id="a19"
                        x3="-0.40339"
                        y3="4.005076"
                        z3="1.218112"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-0.427491"
                        y3="3.309578"
                        z3="2.085001"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.317482"
                        y3="5.041188"
                        z3="1.614431"/>
                  <atom elementType="C"
                        id="a22"
                        x3="0.752376"
                        y3="3.713752"
                        z3="0.307669"/>
                  <atom elementType="C"
                        id="a23"
                        x3="0.86404"
                        y3="2.402161"
                        z3="-0.245668"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-0.003167"
                        y3="1.460271"
                        z3="0.137581"/>
                  <atom elementType="C"
                        id="a25"
                        x3="1.913895"
                        y3="2.158642"
                        z3="-1.177406"/>
                  <atom elementType="C"
                        id="a26"
                        x3="2.125076"
                        y3="0.803865"
                        z3="-1.795461"/>
                  <atom elementType="H"
                        id="a27"
                        x3="2.690385"
                        y3="0.161987"
                        z3="-1.086741"/>
                  <atom elementType="H"
                        id="a28"
                        x3="2.762821"
                        y3="0.928845"
                        z3="-2.701145"/>
                  <atom elementType="N"
                        id="a29"
                        x3="0.87047"
                        y3="0.103762"
                        z3="-2.155573"/>
                  <atom elementType="H"
                        id="a30"
                        x3="0.17046"
                        y3="0.800199"
                        z3="-2.478638"/>
                  <atom elementType="C"
                        id="a31"
                        x3="1.106194"
                        y3="-0.85325"
                        z3="-3.250867"/>
                  <atom elementType="H"
                        id="a32"
                        x3="1.904323"
                        y3="-1.552969"
                        z3="-2.921063"/>
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                        id="a33"
                        x3="1.512724"
                        y3="-0.314084"
                        z3="-4.140475"/>
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                        y3="-2.626956"
                        z3="-2.593142"/>
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                        x3="-1.320157"
                        y3="-3.370756"
                        z3="-3.059007"/>
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                        x3="0.222038"
                        y3="-3.206662"
                        z3="-2.174678"/>
                  <atom elementType="N"
                        id="a37"
                        x3="-1.295725"
                        y3="-1.952172"
                        z3="-1.473002"/>
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                        id="a38"
                        x3="-2.07427"
                        y3="-1.378199"
                        z3="-1.838014"/>
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                        x3="-1.819354"
                        y3="-2.920093"
                        z3="-0.482296"/>
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                        y3="-3.218064"
                        z3="0.164486"/>
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                        z3="-0.998785"/>
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                        y3="-2.371846"
                        z3="0.313889"/>
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                        y3="-3.222493"
                        z3="0.62266"/>
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                        x3="1.564855"
                        y3="5.715527"
                        z3="0.433745"/>
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                        y3="3.188109"
                        z3="-1.488521"/>
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                        z3="-2.211749"/>
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                  <bond atomRefs2="a85 a86" order="S"/>
               </bondArray>
               <formula concise="C31H43IN4O7Zn2">
                  <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">798.0767700000004</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">B88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XAlpha</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.666667</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XBeta</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.004200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">P86</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of auxiliary basis functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2767</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">TS2_ZnZnI_BP86-D3BJ_def2-SVP_tsopt</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">398</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">891</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">9213.9519971567 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVNR</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.8500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">LIBINT</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.217e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.864 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.333 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.207 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">B88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XAlpha</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.666667</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XBeta</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.004200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">P86</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of auxiliary basis functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2767</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">TS2_ZnZnI_BP86-D3BJ_def2-SVP_tsopt</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">398</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">891</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">9218.4554667823 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVNR</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.8500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">LIBINT</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.221e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.797 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.336 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.145 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="Zn"
                                 id="a1"
                                 x3="-2.07231128"
                                 y3="1.78933446"
                                 z3="0.04571883">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">30</scalar>
                           </atom>
                           <atom elementType="Zn"
                                 id="a2"
                                 x3="-0.07364091"
                                 y3="-0.5749351"
                                 z3="-0.30191734">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">30</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-2.00008809"
                                 y3="-0.17142094"
                                 z3="0.48923826">
                              <scalar dataType="" dictRef="cc:basis"/>
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                                 id="a79"
                                 x3="-5.98806869"
                                 y3="-3.46628858"
                                 z3="1.58941799">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a80"
                                 x3="-4.8265426"
                                 y3="5.19174739"
                                 z3="0.61489219">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a81"
                                 x3="-4.07811028"
                                 y3="4.17519414"
                                 z3="-0.63874806">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a82"
                                 x3="0.11115868"
                                 y3="-2.21519106"
                                 z3="-4.57222431">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a83"
                                 x3="-0.95480402"
                                 y3="-0.94634744"
                                 z3="-3.92972735">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a84"
                                 x3="3.45503846"
                                 y3="5.24749087"
                                 z3="-1.16643459">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a85"
                                 x3="0.73023742"
                                 y3="-2.08835889"
                                 z3="1.99716173">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a86"
                                 x3="1.1903385"
                                 y3="-3.05210119"
                                 z3="2.55132701">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a87"
                                 x3="0.04733448"
                                 y3="-1.08321085"
                                 z3="2.10676964">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="I"
                                 id="a88"
                                 x3="-2.46474509"
                                 y3="1.77649557"
                                 z3="-2.57430985">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">53</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a88" order="S"/>
                           <bond atomRefs2="a1 a9" order="S"/>
                           <bond atomRefs2="a1 a17" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a29" order="S"/>
                           <bond atomRefs2="a2 a37" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a24" order="S"/>
                           <bond atomRefs2="a2 a62" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a42" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a45" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a58" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                           <bond atomRefs2="a14 a58" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a14 a16" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a19 a22" order="S"/>
                           <bond atomRefs2="a19 a21" order="S"/>
                           <bond atomRefs2="a19 a20" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a22 a47" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a23 a24" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a49" order="S"/>
                           <bond atomRefs2="a26 a29" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a26 a27" order="S"/>
                           <bond atomRefs2="a29 a31" order="S"/>
                           <bond atomRefs2="a29 a30" order="S"/>
                           <bond atomRefs2="a31 a59" order="S"/>
                           <bond atomRefs2="a31 a33" order="S"/>
                           <bond atomRefs2="a31 a32" order="S"/>
                           <bond atomRefs2="a34 a59" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a34 a35" order="S"/>
                           <bond atomRefs2="a34 a36" order="S"/>
                           <bond atomRefs2="a37 a39" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                           <bond atomRefs2="a39 a41" order="S"/>
                           <bond atomRefs2="a39 a40" order="S"/>
                           <bond atomRefs2="a42 a43" order="S"/>
                           <bond atomRefs2="a43 a60" order="S"/>
                           <bond atomRefs2="a43 a44" order="S"/>
                           <bond atomRefs2="a45 a60" order="S"/>
                           <bond atomRefs2="a45 a46" order="S"/>
                           <bond atomRefs2="a47 a61" order="S"/>
                           <bond atomRefs2="a47 a48" order="S"/>
                           <bond atomRefs2="a49 a61" order="S"/>
                           <bond atomRefs2="a49 a50" order="S"/>
                           <bond atomRefs2="a51 a64" order="S"/>
                           <bond atomRefs2="a51 a52" order="S"/>
                           <bond atomRefs2="a52 a54" order="S"/>
                           <bond atomRefs2="a52 a53" order="S"/>
                           <bond atomRefs2="a54 a56" order="S"/>
                           <bond atomRefs2="a54 a57" order="S"/>
                           <bond atomRefs2="a54 a55" order="S"/>
                           <bond atomRefs2="a58 a81" order="S"/>
                           <bond atomRefs2="a58 a80" order="S"/>
                           <bond atomRefs2="a59 a83" order="S"/>
                           <bond atomRefs2="a59 a82" order="S"/>
                           <bond atomRefs2="a60 a79" order="S"/>
                           <bond atomRefs2="a61 a84" order="S"/>
                           <bond atomRefs2="a62 a85" order="S"/>
                           <bond atomRefs2="a62 a63" order="S"/>
                           <bond atomRefs2="a63 a64" order="S"/>
                           <bond atomRefs2="a63 a65" order="S"/>
                           <bond atomRefs2="a63 a66" order="S"/>
                           <bond atomRefs2="a64 a67" order="S"/>
                           <bond atomRefs2="a64 a68" order="S"/>
                           <bond atomRefs2="a65 a69" order="S"/>
                           <bond atomRefs2="a65 a70" order="S"/>
                           <bond atomRefs2="a65 a71" order="S"/>
                           <bond atomRefs2="a67 a72" order="S"/>
                           <bond atomRefs2="a67 a73" order="S"/>
                           <bond atomRefs2="a67 a74" order="S"/>
                           <bond atomRefs2="a69 a72" order="S"/>
                           <bond atomRefs2="a69 a76" order="S"/>
                           <bond atomRefs2="a69 a75" order="S"/>
                           <bond atomRefs2="a72 a78" order="S"/>
                           <bond atomRefs2="a72 a77" order="S"/>
                           <bond atomRefs2="a85 a87" order="S"/>
                           <bond atomRefs2="a85 a86" order="S"/>
                        </bondArray>
                        <formula concise="C31H43IN4O7Zn2">
                           <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">798.0767700000004</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                     <scalar dataType="xsd:integer" dictRef="o:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="10">RKS BP86 D3BJ def2-SVP def2/J SlowConv TightSCF Grid6 OptTS Freq</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">scf</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">MaxIter  2000</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Calc_Hess true</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Convergence tight</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">1900</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">pal</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">nprocs 16</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">cpcm</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">SMD True</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">SMDsolvent "DIBUTYLETHER"</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">freq</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">Temp 393.15</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">method</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">SpecialGridAtoms 53 # (53 is here the atomic number for iodine)</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">SpecialGridIntAcc 7</scalar>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.065219"
                              y3="1.798474"
                              z3="0.049268"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.067819"
                              y3="-0.567818"
                              z3="-0.328757"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.976204"
                              y3="-0.172139"
                              z3="0.480259"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.96762"
                              y3="-1.017662"
                              z3="0.752758"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.097224"
                              y3="-0.575561"
                              z3="1.507295"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.146007"
                              y3="0.845437"
                              z3="1.988309"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.085151"
                              y3="0.999632"
                              z3="2.562848"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.297831"
                              y3="1.066941"
                              z3="2.67396"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.075056"
                              y3="1.820667"
                              z3="0.85842"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.559841"
                              y3="1.392509"
                              z3="0.054092"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.76062"
                              y3="3.098752"
                              z3="1.174399"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.695912"
                              y3="3.246848"
                              z3="2.272902"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.843393"
                              y3="3.01409"
                              z3="0.933322"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.771077"
                              y3="4.673998"
                              z3="1.04997"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.545164"
                              y3="5.754113"
                              z3="0.896446"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.761444"
                              y3="4.506209"
                              z3="2.148371"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.686555"
                              y3="3.857827"
                              z3="0.46619"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.533363"
                              y3="4.186577"
                              z3="-0.50174"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.395637"
                              y3="4.022278"
                              z3="1.193784"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.411942"
                              y3="3.336827"
                              z3="2.068638"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.308828"
                              y3="5.061681"
                              z3="1.58004"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.755286"
                              y3="3.725873"
                              z3="0.277942"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.870491"
                              y3="2.411239"
                              z3="-0.268231"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.00691"
                              y3="1.467575"
                              z3="0.12084"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.921089"
                              y3="2.163998"
                              z3="-1.198702"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.137003"
                              y3="0.805021"
                              z3="-1.806543"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.697405"
                              y3="0.167043"
                              z3="-1.090353"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.780897"
                              y3="0.923586"
                              z3="-2.708026"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.884294"
                              y3="0.103106"
                              z3="-2.171367"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.189417"
                              y3="0.800028"
                              z3="-2.502565"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.12446"
                              y3="-0.856533"
                              z3="-3.265165"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.919521"
                              y3="-1.557637"
                              z3="-2.931378"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.535959"
                              y3="-0.317548"
                              z3="-4.151799"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.617501"
                              y3="-2.626511"
                              z3="-2.616638"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.309668"
                              y3="-3.367243"
                              z3="-3.084884"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.230813"
                              y3="-3.209513"
                              z3="-2.197829"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.286007"
                              y3="-1.95148"
                              z3="-1.496407"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.068232"
                              y3="-1.38428"
                              z3="-1.863607"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.805079"
                              y3="-2.921194"
                              z3="-0.505941"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.946395"
                              y3="-3.222833"
                              z3="0.134011"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.149885"
                              y3="-3.847337"
                              z3="-1.021892"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.951023"
                              y3="-2.374311"
                              z3="0.304724"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-4.022258"
                              y3="-3.227812"
                              z3="0.624183"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.98925"
                              y3="-4.267502"
                              z3="0.259104"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.149365"
                              y3="-1.457453"
                              z3="1.807612"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-6.004469"
                              y3="-1.082817"
                              z3="2.394014"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.676777"
                              y3="4.730028"
                              z3="-0.059605"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.56119"
                              y3="5.731011"
                              z3="0.387289"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.826095"
                              y3="3.193905"
                              z3="-1.517909"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.630574"
                              y3="2.977387"
                              z3="-2.239804"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.324036"
                              y3="-0.501171"
                              z3="0.948742"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.389054"
                              y3="0.054222"
                              z3="2.198243"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.765782"
                              y3="-0.553584"
                              z3="3.181593"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.88191"
                              y3="1.471863"
                              z3="2.171732"/>
                        <atom elementType="H"
                              id="a55"
                              x3="3.118589"
                              y3="1.974222"
                              z3="3.125678"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.782146"
                              y3="1.42772"
                              z3="2.032964"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.296201"
                              y3="2.036965"
                              z3="1.315456"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.150357"
                              y3="4.320399"
                              z3="0.491363"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.115284"
                              y3="-1.645309"
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                              x3="-5.120638"
                              y3="-2.791547"
                              z3="1.37874"/>
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                              x3="2.729025"
                              y3="4.471735"
                              z3="-0.949902"/>
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                              y3="-2.048426"
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                              y3="-2.461107"
                              z3="-0.101482"/>
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                              id="a64"
                              x3="3.507112"
                              y3="-1.934087"
                              z3="0.852485"/>
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                              id="a65"
                              x3="2.548963"
                              y3="-3.986034"
                              z3="-0.233381"/>
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                              x3="2.624106"
                              y3="-2.011064"
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                              id="a67"
                              x3="4.910916"
                              y3="-2.289304"
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                              id="a68"
                              x3="3.3462"
                              y3="-2.361282"
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                              x3="3.954808"
                              y3="-4.385557"
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                              x3="1.772075"
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                              x3="2.318216"
                              y3="-4.434468"
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                              x3="5.044797"
                              y3="-3.813548"
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                              y3="-2.101753"
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                              y3="-3.098977"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.052465"
                              y3="-1.083079"
                              z3="2.14777"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.463443"
                              y3="1.771748"
                              z3="-2.580388"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              x3="-2.058955"
                              y3="1.808198"
                              z3="0.056133"/>
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                              x3="-0.063665"
                              y3="-0.556354"
                              z3="-0.35389"/>
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                              x3="-1.954342"
                              y3="-0.171293"
                              z3="0.472039"/>
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                              x3="-2.94092"
                              y3="-1.021598"
                              z3="0.74897"/>
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                              id="a5"
                              x3="-4.063697"
                              y3="-0.585328"
                              z3="1.517379"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.11251"
                              y3="0.83376"
                              z3="2.00476"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.046685"
                              y3="0.982364"
                              z3="2.588176"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.25961"
                              y3="1.055885"
                              z3="2.684081"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.055952"
                              y3="1.813753"
                              z3="0.878592"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.553774"
                              y3="1.389787"
                              z3="0.08014"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.743245"
                              y3="3.087903"
                              z3="1.211495"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.660941"
                              y3="3.232251"
                              z3="2.309082"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.828595"
                              y3="2.995745"
                              z3="0.986979"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.767087"
                              y3="4.676768"
                              z3="1.060643"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.548703"
                              y3="5.757097"
                              z3="0.901097"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.740094"
                              y3="4.510188"
                              z3="2.158691"/>
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                              id="a17"
                              x3="-1.685789"
                              y3="3.866233"
                              z3="0.460492"/>
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                              id="a18"
                              x3="-1.547036"
                              y3="4.201623"
                              z3="-0.507171"/>
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                              id="a19"
                              x3="-0.387887"
                              y3="4.03958"
                              z3="1.172597"/>
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                              id="a20"
                              x3="-0.392283"
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                              z3="2.052921"/>
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                              id="a21"
                              x3="-0.300938"
                              y3="5.081572"
                              z3="1.550932"/>
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                              id="a22"
                              x3="0.756285"
                              y3="3.741357"
                              z3="0.248528"/>
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                              id="a23"
                              x3="0.87561"
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                              x3="1.927326"
                              y3="2.173471"
                              z3="-1.218487"/>
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                              id="a26"
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                              z3="-1.81108"/>
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                              z3="-1.0828"/>
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                              id="a28"
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                              y3="0.918667"
                              z3="-2.706179"/>
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                              x3="0.902053"
                              y3="0.10374"
                              z3="-2.183288"/>
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                              z3="-2.524352"/>
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                              x3="2.516601"
                              y3="-3.97552"
                              z3="-0.226806"/>
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                              x3="2.604838"
                              y3="-1.995234"
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                              x3="4.893505"
                              y3="-2.30279"
                              z3="0.384929"/>
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                              id="a68"
                              x3="3.326062"
                              y3="-2.362758"
                              z3="1.881396"/>
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                              x3="3.919191"
                              y3="-4.382192"
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                              x3="1.737077"
                              y3="-4.324317"
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                              x3="2.282242"
                              y3="-4.430348"
                              z3="0.757587"/>
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                              x3="5.013335"
                              y3="-3.827052"
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                              y3="-1.918533"
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                              z3="-1.264294"/>
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                              x3="0.687789"
                              y3="-2.104264"
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                              id="a86"
                              x3="1.083043"
                              y3="-3.126679"
                              z3="2.519465"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.06079"
                              y3="-1.075796"
                              z3="2.190727"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.457555"
                              y3="1.766289"
                              z3="-2.582039"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-2.058024"
                              y3="1.816197"
                              z3="0.064768"/>
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                              x3="-0.062854"
                              y3="-0.54452"
                              z3="-0.369795"/>
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                              id="a3"
                              x3="-1.943451"
                              y3="-0.17044"
                              z3="0.46443"/>
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                              id="a4"
                              x3="-2.926332"
                              y3="-1.025385"
                              z3="0.740775"/>
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                              id="a5"
                              x3="-4.046755"
                              y3="-0.595349"
                              z3="1.516349"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.096261"
                              y3="0.820697"
                              z3="2.013131"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.028128"
                              y3="0.963485"
                              z3="2.601342"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.241294"
                              y3="1.040194"
                              z3="2.690551"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.0470"
                              y3="1.808694"
                              z3="0.893743"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.553933"
                              y3="1.391616"
                              z3="0.097374"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.733533"
                              y3="3.079364"
                              z3="1.243798"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.633946"
                              y3="3.21906"
                              z3="2.340428"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.821592"
                              y3="2.982536"
                              z3="1.035775"/>
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                              id="a14"
                              x3="-2.769205"
                              y3="4.680188"
                              z3="1.070614"/>
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                              id="a15"
                              x3="-2.557431"
                              y3="5.76073"
                              z3="0.905574"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.727506"
                              y3="4.515356"
                              z3="2.168356"/>
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                              id="a17"
                              x3="-1.690906"
                              y3="3.874096"
                              z3="0.457344"/>
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                              id="a18"
                              x3="-1.565713"
                              y3="4.213863"
                              z3="-0.510573"/>
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                              id="a19"
                              x3="-0.387197"
                              y3="4.055504"
                              z3="1.155872"/>
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                              id="a20"
                              x3="-0.380889"
                              y3="3.381258"
                              z3="2.03944"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.300913"
                              y3="5.099394"
                              z3="1.528559"/>
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                              id="a22"
                              x3="0.750863"
                              y3="3.757079"
                              z3="0.224363"/>
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                              id="a23"
                              x3="0.875407"
                              y3="2.436192"
                              z3="-0.30472"/>
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                              y3="1.488589"
                              z3="0.09809"/>
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                              id="a25"
                              x3="1.929571"
                              y3="2.183662"
                              z3="-1.23073"/>
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                              id="a26"
                              x3="2.164245"
                              y3="0.813325"
                              z3="-1.805171"/>
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                              y3="0.190301"
                              z3="-1.062438"/>
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                              id="a28"
                              x3="2.829715"
                              y3="0.913556"
                              z3="-2.692098"/>
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                              id="a29"
                              x3="0.91994"
                              y3="0.103514"
                              z3="-2.18719"/>
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                              x3="0.233198"
                              y3="0.797884"
                              z3="-2.538467"/>
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                              id="a36"
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                              y3="-4.302449"
                              z3="-0.909568"/>
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                              x3="2.251526"
                              y3="-4.420966"
                              z3="0.778975"/>
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                              x3="4.983573"
                              y3="-3.848567"
                              z3="0.213962"/>
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                              id="a73"
                              x3="5.072603"
                              y3="-1.818062"
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                              x3="3.417736"
                              y3="5.29762"
                              z3="-1.312032"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.688613"
                              y3="-2.08303"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.080394"
                              y3="-3.110416"
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                              id="a87"
                              x3="0.062398"
                              y3="-1.057875"
                              z3="2.228867"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.451897"
                              y3="1.760141"
                              z3="-2.580836"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              x3="-2.056879"
                              y3="1.825947"
                              z3="0.075413"/>
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                              x3="-0.062355"
                              y3="-0.530023"
                              z3="-0.380745"/>
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                              x3="-1.934595"
                              y3="-0.166194"
                              z3="0.461066"/>
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                              x3="-2.912655"
                              y3="-1.026322"
                              z3="0.738788"/>
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                              id="a5"
                              x3="-4.030293"
                              y3="-0.602516"
                              z3="1.52183"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.080501"
                              y3="0.810728"
                              z3="2.026703"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.010194"
                              y3="0.948186"
                              z3="2.619462"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.223396"
                              y3="1.027835"
                              z3="2.702119"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.037924"
                              y3="1.806284"
                              z3="0.913891"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.552623"
                              y3="1.396255"
                              z3="0.118716"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.722368"
                              y3="3.073403"
                              z3="1.280613"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.595934"
                              y3="3.214089"
                              z3="2.374289"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.814626"
                              y3="2.96948"
                              z3="1.099787"/>
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                              id="a14"
                              x3="-2.777903"
                              y3="4.693108"
                              z3="1.067245"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.57661"
                              y3="5.772795"
                              z3="0.885415"/>
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                              id="a16"
                              x3="-2.720412"
                              y3="4.54214"
                              z3="2.166111"/>
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                              id="a17"
                              x3="-1.700617"
                              y3="3.887869"
                              z3="0.449712"/>
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                              id="a18"
                              x3="-1.585302"
                              y3="4.222415"
                              z3="-0.521203"/>
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                              id="a19"
                              x3="-0.393088"
                              y3="4.082721"
                              z3="1.136811"/>
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                              id="a20"
                              x3="-0.377451"
                              y3="3.418344"
                              z3="2.027662"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.309436"
                              y3="5.130677"
                              z3="1.498224"/>
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                              id="a22"
                              x3="0.740859"
                              y3="3.780566"
                              z3="0.201409"/>
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                              id="a23"
                              x3="0.87281"
                              y3="2.454787"
                              z3="-0.313487"/>
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                              y3="1.504393"
                              z3="0.099223"/>
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                              id="a25"
                              x3="1.928906"
                              y3="2.198838"
                              z3="-1.236732"/>
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                              id="a26"
                              x3="2.172703"
                              y3="0.821486"
                              z3="-1.78956"/>
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                              x3="2.69994"
                              y3="0.20562"
                              z3="-1.029465"/>
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                              id="a28"
                              x3="2.854286"
                              y3="0.908924"
                              z3="-2.665156"/>
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                              id="a29"
                              x3="0.931697"
                              y3="0.112392"
                              z3="-2.185662"/>
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                              x3="0.250293"
                              y3="0.807755"
                              z3="-2.544572"/>
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                              z3="-4.145018"/>
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                              x3="-0.566497"
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                              z3="-2.661419"/>
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                              id="a35"
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                              y3="5.803071"
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                              y3="-4.003946"
                              z3="-1.724577"/>
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                              x3="5.962318"
                              y3="-4.174662"
                              z3="-0.16207"/>
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                              id="a78"
                              x3="4.864547"
                              y3="-4.372127"
                              z3="1.225668"/>
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                              x3="-5.859193"
                              y3="-3.518738"
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                              x3="-4.861239"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.388247"
                              y3="5.324564"
                              z3="-1.366186"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.681333"
                              y3="-2.100606"
                              z3="1.997932"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.043186"
                              y3="-3.151369"
                              z3="2.483925"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.064378"
                              y3="-1.075416"
                              z3="2.238171"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.44922"
                              y3="1.759671"
                              z3="-2.575047"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-2.067431"
                              y3="1.829704"
                              z3="0.079903"/>
                        <atom elementType="Zn"
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                              x3="-0.073036"
                              y3="-0.526381"
                              z3="-0.380383"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.949122"
                              y3="-0.166714"
                              z3="0.448902"/>
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                              id="a4"
                              x3="-2.925345"
                              y3="-1.029145"
                              z3="0.723555"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.048004"
                              y3="-0.607704"
                              z3="1.500751"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.099503"
                              y3="0.802301"
                              z3="2.014583"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.032752"
                              y3="0.936876"
                              z3="2.602529"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.246308"
                              y3="1.012076"
                              z3="2.697214"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.047435"
                              y3="1.808498"
                              z3="0.912139"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566504"
                              y3="1.412875"
                              z3="0.112364"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.721369"
                              y3="3.0757"
                              z3="1.296281"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.570585"
                              y3="3.213431"
                              z3="2.387262"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.817579"
                              y3="2.973487"
                              z3="1.139374"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.787189"
                              y3="4.703559"
                              z3="1.058334"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.588938"
                              y3="5.780998"
                              z3="0.861082"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723067"
                              y3="4.566796"
                              z3="2.158599"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.711408"
                              y3="3.892411"
                              z3="0.444927"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.594079"
                              y3="4.223578"
                              z3="-0.52686"/>
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                              id="a19"
                              x3="-0.404757"
                              y3="4.087927"
                              z3="1.133593"/>
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                              id="a20"
                              x3="-0.390351"
                              y3="3.424979"
                              z3="2.025359"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.321056"
                              y3="5.13652"
                              z3="1.492884"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.730106"
                              y3="3.783482"
                              z3="0.200324"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.863915"
                              y3="2.455697"
                              z3="-0.309585"/>
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                              id="a24"
                              x3="0.016634"
                              y3="1.506137"
                              z3="0.103436"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.922792"
                              y3="2.198511"
                              z3="-1.229873"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.172038"
                              y3="0.819543"
                              z3="-1.775454"/>
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                              id="a27"
                              x3="2.692912"
                              y3="0.206951"
                              z3="-1.008442"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.861526"
                              y3="0.903522"
                              z3="-2.645081"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.93492"
                              y3="0.107994"
                              z3="-2.179356"/>
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                              id="a30"
                              x3="0.255459"
                              y3="0.801587"
                              z3="-2.545424"/>
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                              x3="1.210482"
                              y3="-0.861587"
                              z3="-3.258743"/>
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                              id="a32"
                              x3="1.994473"
                              y3="-1.561089"
                              z3="-2.89719"/>
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                              id="a33"
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                              y3="-0.326677"
                              z3="-4.133491"/>
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                              id="a34"
                              x3="-0.552412"
                              y3="-2.627425"
                              z3="-2.656688"/>
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                              id="a35"
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                              y3="-3.353882"
                              z3="-3.139632"/>
                        <atom elementType="H"
                              id="a36"
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                              y3="-3.227582"
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                              id="a37"
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                              y3="-1.950993"
                              z3="-1.540798"/>
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                              id="a38"
                              x3="-2.019731"
                              y3="-1.400152"
                              z3="-1.921639"/>
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                              x3="1.6267"
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                              id="a48"
                              x3="1.493065"
                              y3="5.807472"
                              z3="0.234814"/>
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                              id="a49"
                              x3="2.80225"
                              y3="3.236211"
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                              x3="3.413981"
                              y3="-0.51281"
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                              y3="-0.584757"
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                              x3="2.844267"
                              y3="1.454379"
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                              x3="3.059637"
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                              x3="3.28643"
                              y3="1.993153"
                              z3="1.319413"/>
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                              id="a84"
                              x3="3.375769"
                              y3="5.326863"
                              z3="-1.371139"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.686227"
                              y3="-2.07408"
                              z3="2.004096"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.08105"
                              y3="-3.106154"
                              z3="2.5099"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.02786"
                              y3="-1.073179"
                              z3="2.244098"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.442891"
                              y3="1.755422"
                              z3="-2.57709"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-2.070422"
                              y3="1.835305"
                              z3="0.092203"/>
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                              x3="-0.069012"
                              y3="-0.518544"
                              z3="-0.367087"/>
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                              id="a3"
                              x3="-1.951107"
                              y3="-0.163456"
                              z3="0.451819"/>
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                              x3="-2.925166"
                              y3="-1.028735"
                              z3="0.725606"/>
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                              id="a5"
                              x3="-4.053108"
                              y3="-0.610348"
                              z3="1.496592"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.109287"
                              y3="0.797258"
                              z3="2.015939"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.046716"
                              y3="0.928301"
                              z3="2.598207"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.261161"
                              y3="1.004126"
                              z3="2.70577"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.049755"
                              y3="1.810173"
                              z3="0.920812"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.570297"
                              y3="1.424624"
                              z3="0.116914"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.716932"
                              y3="3.076718"
                              z3="1.316254"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.537752"
                              y3="3.219568"
                              z3="2.402326"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.816742"
                              y3="2.9703"
                              z3="1.189012"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.80413"
                              y3="4.722808"
                              z3="1.037534"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.614822"
                              y3="5.796514"
                              z3="0.813331"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.733163"
                              y3="4.613144"
                              z3="2.140353"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.725048"
                              y3="3.90462"
                              z3="0.438397"/>
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                              id="a18"
                              x3="-1.604958"
                              y3="4.22291"
                              z3="-0.537362"/>
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                              id="a19"
                              x3="-0.42112"
                              y3="4.111557"
                              z3="1.129555"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.409411"
                              y3="3.45985"
                              z3="2.029637"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.34144"
                              y3="5.164358"
                              z3="1.477198"/>
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                              id="a22"
                              x3="0.718977"
                              y3="3.800986"
                              z3="0.204423"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.859173"
                              y3="2.470532"
                              z3="-0.296588"/>
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                              id="a24"
                              x3="0.01507"
                              y3="1.518721"
                              z3="0.119425"/>
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                              id="a25"
                              x3="1.921261"
                              y3="2.211684"
                              z3="-1.21263"/>
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                              id="a26"
                              x3="2.173611"
                              y3="0.830949"
                              z3="-1.752048"/>
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                              id="a27"
                              x3="2.689177"
                              y3="0.218968"
                              z3="-0.980694"/>
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                              id="a28"
                              x3="2.868856"
                              y3="0.912813"
                              z3="-2.61723"/>
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                              id="a29"
                              x3="0.937791"
                              y3="0.120943"
                              z3="-2.163088"/>
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                              id="a30"
                              x3="0.261023"
                              y3="0.816116"
                              z3="-2.530938"/>
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                              y3="-0.847001"
                              z3="-3.243401"/>
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                              y3="-1.544814"
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                              y3="-0.309806"
                              z3="-4.117169"/>
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                              y3="-2.620941"
                              z3="-2.645181"/>
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                              z3="-3.128462"/>
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                              id="a36"
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                              z3="-2.223136"/>
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                              id="a38"
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                              y3="5.827606"
                              z3="0.227961"/>
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                              y3="3.249468"
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                              x3="0.022206"
                              y3="-1.086695"
                              z3="2.239614"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.443528"
                              y3="1.756846"
                              z3="-2.568533"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-2.077454"
                              y3="1.837196"
                              z3="0.092841"/>
                        <atom elementType="Zn"
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                              x3="-0.076995"
                              y3="-0.519693"
                              z3="-0.357963"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.959612"
                              y3="-0.162559"
                              z3="0.450587"/>
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                              x3="-2.932971"
                              y3="-1.028606"
                              z3="0.724302"/>
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                              id="a5"
                              x3="-4.062713"
                              y3="-0.609844"
                              z3="1.492597"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.117762"
                              y3="0.796559"
                              z3="2.015033"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.0566"
                              y3="0.928352"
                              z3="2.59508"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.271187"
                              y3="0.999271"
                              z3="2.708033"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.052374"
                              y3="1.81345"
                              z3="0.924665"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.579888"
                              y3="1.438149"
                              z3="0.120284"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.705681"
                              y3="3.082574"
                              z3="1.332009"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.48755"
                              y3="3.234754"
                              z3="2.409729"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.80944"
                              y3="2.974137"
                              z3="1.245608"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.816736"
                              y3="4.743841"
                              z3="0.99391"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.635774"
                              y3="5.810224"
                              z3="0.731656"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.736147"
                              y3="4.671924"
                              z3="2.099078"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.736828"
                              y3="3.91182"
                              z3="0.41399"/>
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                              id="a18"
                              x3="-1.609592"
                              y3="4.215201"
                              z3="-0.565547"/>
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                              id="a19"
                              x3="-0.436779"
                              y3="4.12561"
                              z3="1.110714"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.431356"
                              y3="3.483615"
                              z3="2.017676"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.358468"
                              y3="5.182085"
                              z3="1.447079"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.709525"
                              y3="3.80554"
                              z3="0.196269"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.852933"
                              y3="2.470841"
                              z3="-0.293121"/>
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                              id="a24"
                              x3="0.007315"
                              y3="1.521363"
                              z3="0.125904"/>
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                              id="a25"
                              x3="1.920437"
                              y3="2.205992"
                              z3="-1.20162"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.17337"
                              y3="0.822154"
                              z3="-1.732327"/>
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                              id="a27"
                              x3="2.679926"
                              y3="0.211012"
                              z3="-0.954404"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.877527"
                              y3="0.897255"
                              z3="-2.590864"/>
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                              id="a29"
                              x3="0.937661"
                              y3="0.116561"
                              z3="-2.15137"/>
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                              id="a30"
                              x3="0.265129"
                              y3="0.814317"
                              z3="-2.521762"/>
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                              y3="-0.85132"
                              z3="-3.231308"/>
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                              id="a32"
                              x3="2.002669"
                              y3="-1.549593"
                              z3="-2.868825"/>
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                              id="a33"
                              x3="1.657767"
                              y3="-0.314356"
                              z3="-4.104179"/>
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                              x3="-0.540555"
                              y3="-2.625045"
                              z3="-2.637949"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.237234"
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                              z3="-3.123121"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.292542"
                              y3="-3.226955"
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                              z3="-1.519152"/>
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                              id="a38"
                              x3="-2.007529"
                              y3="-1.401497"
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                              id="a39"
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                              y3="4.814826"
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                              x3="1.465256"
                              y3="5.832342"
                              z3="0.208559"/>
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                              y3="3.240891"
                              z3="-1.570538"/>
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                              y3="-0.531216"
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                              y3="0.001958"
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                              y3="-0.628061"
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                              y3="1.433507"
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                              y3="1.955319"
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                              id="a57"
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                              y3="1.965586"
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                              x3="-2.447872"
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                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
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                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="-2.071933"
                              y3="1.837227"
                              z3="0.09197"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.071075"
                              y3="-0.520445"
                              z3="-0.362166"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948253"
                              y3="-0.161342"
                              z3="0.453086"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.920939"
                              y3="-1.027451"
                              z3="0.730498"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.043875"
                              y3="-0.609443"
                              z3="1.50899"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.094317"
                              y3="0.797282"
                              z3="2.03068"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.027093"
                              y3="0.92993"
                              z3="2.620116"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.240544"
                              y3="1.00194"
                              z3="2.714142"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.041401"
                              y3="1.810709"
                              z3="0.93626"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.573938"
                              y3="1.43004"
                              z3="0.137794"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.696044"
                              y3="3.079548"
                              z3="1.342452"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.47503"
                              y3="3.235001"
                              z3="2.419117"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.799732"
                              y3="2.968375"
                              z3="1.259314"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.812251"
                              y3="4.744625"
                              z3="0.991136"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.634889"
                              y3="5.810223"
                              z3="0.72338"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.726745"
                              y3="4.677553"
                              z3="2.096235"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.732548"
                              y3="3.912864"
                              z3="0.410145"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.60819"
                              y3="4.214889"
                              z3="-0.570216"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.431168"
                              y3="4.129453"
                              z3="1.103787"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.423753"
                              y3="3.490627"
                              z3="2.013299"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.352894"
                              y3="5.186942"
                              z3="1.436993"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.714184"
                              y3="3.807972"
                              z3="0.188989"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.858693"
                              y3="2.472823"
                              z3="-0.297955"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.014062"
                              y3="1.522829"
                              z3="0.121819"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.926411"
                              y3="2.207322"
                              z3="-1.205954"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.179184"
                              y3="0.822923"
                              z3="-1.735293"/>
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                              id="a27"
                              x3="2.685466"
                              y3="0.212418"
                              z3="-0.95666"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.882864"
                              y3="0.897173"
                              z3="-2.594218"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.943168"
                              y3="0.117369"
                              z3="-2.15394"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.270037"
                              y3="0.815367"
                              z3="-2.522745"/>
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                              id="a31"
                              x3="1.221563"
                              y3="-0.848991"
                              z3="-3.235841"/>
                        <atom elementType="H"
                              id="a32"
                              x3="2.003422"
                              y3="-1.550789"
                              z3="-2.874645"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.663234"
                              y3="-0.311164"
                              z3="-4.107058"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.544211"
                              y3="-2.617429"
                              z3="-2.647726"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.242767"
                              y3="-3.33793"
                              z3="-3.135113"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.286704"
                              y3="-3.223042"
                              z3="-2.22664"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.221148"
                              y3="-1.946009"
                              z3="-1.527047"/>
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                              id="a38"
                              x3="-2.008216"
                              y3="-1.39206"
                              z3="-1.904342"/>
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                              id="a39"
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                              y3="-2.919835"
                              z3="-0.543292"/>
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                              id="a40"
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                              y3="4.817345"
                              z3="-0.200341"/>
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                              id="a48"
                              x3="1.467895"
                              y3="5.835476"
                              z3="0.197148"/>
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                              id="a49"
                              x3="2.805945"
                              y3="3.2421"
                              z3="-1.576883"/>
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                              id="a50"
                              x3="3.620371"
                              y3="3.008206"
                              z3="-2.281942"/>
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                              id="a51"
                              x3="3.475858"
                              y3="-0.53556"
                              z3="1.016367"/>
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                              id="a52"
                              x3="3.274261"
                              y3="-0.002539"
                              z3="2.260348"/>
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                              x3="3.408148"
                              y3="-0.63285"
                              z3="3.292471"/>
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                              id="a54"
                              x3="2.824828"
                              y3="1.429319"
                              z3="2.158202"/>
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                              id="a55"
                              x3="2.992352"
                              y3="1.950986"
                              z3="3.117248"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.73649"
                              y3="1.41138"
                              z3="1.938751"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.322655"
                              y3="1.962012"
                              z3="1.327069"/>
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                              x3="-4.212169"
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                              id="a61"
                              x3="2.670003"
                              y3="4.54518"
                              z3="-1.078038"/>
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                              y3="-1.907502"
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                              y3="-2.40103"
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                              id="a77"
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                              y3="-1.13831"
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                              id="a88"
                              x3="-2.44871"
                              y3="1.742652"
                              z3="-2.569818"/>
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                     <bondArray>
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                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.06938"
                              y3="1.836207"
                              z3="0.081163"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.071763"
                              y3="-0.525168"
                              z3="-0.371517"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.947914"
                              y3="-0.158984"
                              z3="0.450627"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921165"
                              y3="-1.022538"
                              z3="0.732634"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.038659"
                              y3="-0.601137"
                              z3="1.517332"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.084647"
                              y3="0.808535"
                              z3="2.031946"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.012944"
                              y3="0.944511"
                              z3="2.627469"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.225519"
                              y3="1.016945"
                              z3="2.707485"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.039851"
                              y3="1.814373"
                              z3="0.929492"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.570411"
                              y3="1.422391"
                              z3="0.135393"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.702562"
                              y3="3.083741"
                              z3="1.32329"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.511982"
                              y3="3.234025"
                              z3="2.406429"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.803513"
                              y3="2.976316"
                              z3="1.207965"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.793667"
                              y3="4.729459"
                              z3="1.01606"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.60616"
                              y3="5.800347"
                              z3="0.777763"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.715018"
                              y3="4.632455"
                              z3="2.11949"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.717849"
                              y3="3.90504"
                              z3="0.418452"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.597649"
                              y3="4.221177"
                              z3="-0.557916"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.412522"
                              y3="4.110006"
                              z3="1.107772"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.399023"
                              y3="3.457682"
                              z3="2.007562"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.330331"
                              y3="5.162995"
                              z3="1.453992"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.726049"
                              y3="3.796241"
                              z3="0.182445"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.86461"
                              y3="2.463648"
                              z3="-0.312452"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.017982"
                              y3="1.515545"
                              z3="0.107064"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.929216"
                              y3="2.199044"
                              z3="-1.224018"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.179944"
                              y3="0.815214"
                              z3="-1.755302"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.691327"
                              y3="0.206045"
                              z3="-0.979128"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.878222"
                              y3="0.889365"
                              z3="-2.618648"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.942535"
                              y3="0.107541"
                              z3="-2.165384"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.267613"
                              y3="0.803927"
                              z3="-2.534151"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.217693"
                              y3="-0.862478"
                              z3="-3.244759"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.997649"
                              y3="-1.565509"
                              z3="-2.881793"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.66057"
                              y3="-0.328358"
                              z3="-4.117641"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553168"
                              y3="-2.62306"
                              z3="-2.649654"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251926"
                              y3="-3.344643"
                              z3="-3.13515"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.276573"
                              y3="-3.227855"
                              z3="-2.224705"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.231227"
                              y3="-1.946645"
                              z3="-1.532398"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.016267"
                              y3="-1.391662"
                              z3="-1.912401"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.757487"
                              y3="-2.919247"
                              z3="-0.549805"/>
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                              id="a40"
                              x3="-0.904059"
                              y3="-3.234176"
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                              id="a41"
                              x3="-2.108714"
                              y3="-3.838352"
                              z3="-1.072442"/>
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                              id="a42"
                              x3="-2.898158"
                              y3="-2.375667"
                              z3="0.272049"/>
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                              x3="-3.957944"
                              y3="-3.241901"
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                              id="a44"
                              x3="-3.92121"
                              y3="-4.277655"
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                              id="a45"
                              x3="-5.07875"
                              y3="-1.495034"
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                              id="a46"
                              x3="-5.925065"
                              y3="-1.134841"
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                              id="a47"
                              x3="1.622682"
                              y3="4.805847"
                              z3="-0.205515"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.484613"
                              y3="5.8221"
                              z3="0.198371"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.808989"
                              y3="3.233947"
                              z3="-1.59418"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.620877"
                              y3="3.001466"
                              z3="-2.302642"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.427994"
                              y3="-0.525961"
                              z3="1.025233"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.254046"
                              y3="-0.002993"
                              z3="2.278156"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.437301"
                              y3="-0.636397"
                              z3="3.300779"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.77807"
                              y3="1.421185"
                              z3="2.199633"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.945768"
                              y3="1.931579"
                              z3="3.164651"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.688537"
                              y3="1.390295"
                              z3="1.98762"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.262486"
                              y3="1.973076"
                              z3="1.372864"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.193915"
                              y3="4.31042"
                              z3="0.571606"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.013199"
                              y3="-1.644717"
                              z3="-3.687944"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.047938"
                              y3="-2.823449"
                              z3="1.375996"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.677059"
                              y3="4.535317"
                              z3="-1.089741"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.146331"
                              y3="-1.939153"
                              z3="0.39368"/>
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                              id="a63"
                              x3="2.414061"
                              y3="-2.427402"
                              z3="-0.033591"/>
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                              id="a64"
                              x3="3.53366"
                              y3="-1.966578"
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                              id="a65"
                              x3="2.462691"
                              y3="-3.949008"
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                              id="a66"
                              x3="2.604491"
                              y3="-1.950721"
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                              id="a67"
                              x3="4.909612"
                              y3="-2.374262"
                              z3="0.39064"/>
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                              id="a68"
                              x3="3.364751"
                              y3="-2.395933"
                              z3="1.920468"/>
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                              x3="3.842215"
                              y3="-4.386876"
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                              id="a70"
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                              y3="-4.249306"
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                              id="a71"
                              x3="2.229087"
                              y3="-4.423635"
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                              id="a74"
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                              id="a75"
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                              id="a76"
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                              y3="-3.973597"
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                              id="a77"
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                              y3="-4.185289"
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                              id="a78"
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                              y3="-4.399812"
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                              id="a79"
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                              id="a80"
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                              y3="-3.167198"
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                              x3="0.001469"
                              y3="-1.131612"
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                        <atom elementType="I"
                              id="a88"
                              x3="-2.446931"
                              y3="1.746498"
                              z3="-2.578016"/>
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                     <bondArray>
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                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
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                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.068014"
                              y3="1.838544"
                              z3="0.079744"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.07321"
                              y3="-0.526499"
                              z3="-0.376537"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.953072"
                              y3="-0.156361"
                              z3="0.446954"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.926804"
                              y3="-1.018159"
                              z3="0.732771"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.044939"
                              y3="-0.593808"
                              z3="1.51511"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.096318"
                              y3="0.819257"
                              z3="2.020505"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.027857"
                              y3="0.955956"
                              z3="2.610543"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.241694"
                              y3="1.034548"
                              z3="2.699703"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.048894"
                              y3="1.818702"
                              z3="0.911759"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.567333"
                              y3="1.416242"
                              z3="0.115118"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.726933"
                              y3="3.086734"
                              z3="1.287551"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.58937"
                              y3="3.225009"
                              z3="2.380171"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.820982"
                              y3="2.984822"
                              z3="1.117147"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.784808"
                              y3="4.707914"
                              z3="1.063987"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.583608"
                              y3="5.786422"
                              z3="0.876004"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723368"
                              y3="4.562021"
                              z3="2.163235"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.709544"
                              y3="3.899663"
                              z3="0.445843"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.594119"
                              y3="4.234217"
                              z3="-0.52492"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.401534"
                              y3="4.094031"
                              z3="1.132154"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.386367"
                              y3="3.431352"
                              z3="2.023929"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.3160"
                              y3="5.142612"
                              z3="1.491018"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.730728"
                              y3="3.787759"
                              z3="0.196308"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864516"
                              y3="2.458871"
                              z3="-0.310322"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019041"
                              y3="1.509153"
                              z3="0.107166"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.921417"
                              y3="2.199852"
                              z3="-1.231949"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.169366"
                              y3="0.818908"
                              z3="-1.772432"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.687395"
                              y3="0.207333"
                              z3="-1.002537"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.860989"
                              y3="0.898792"
                              z3="-2.640747"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.930778"
                              y3="0.1099"
                              z3="-2.176275"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.254263"
                              y3="0.805616"
                              z3="-2.543632"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.202747"
                              y3="-0.8621"
                              z3="-3.254372"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.985534"
                              y3="-1.562856"
                              z3="-2.893142"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.640692"
                              y3="-0.329525"
                              z3="-4.130783"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.563017"
                              y3="-2.62466"
                              z3="-2.647895"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.260565"
                              y3="-3.35011"
                              z3="-3.129429"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.269507"
                              y3="-3.22505"
                              z3="-2.222391"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.240503"
                              y3="-1.946807"
                              z3="-1.531365"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.026326"
                              y3="-1.393073"
                              z3="-1.911258"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.764698"
                              y3="-2.918124"
                              z3="-0.546483"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.90906"
                              y3="-3.233491"
                              z3="0.090977"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.118012"
                              y3="-3.837445"
                              z3="-1.067436"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.90318"
                              y3="-2.373219"
                              z3="0.277643"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.960915"
                              y3="-3.239603"
                              z3="0.611084"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.923415"
                              y3="-4.276973"
                              z3="0.239797"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.083043"
                              y3="-1.488144"
                              z3="1.827826"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.929851"
                              y3="-1.125884"
                              z3="2.433574"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.624508"
                              y3="4.799782"
                              z3="-0.191611"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.490712"
                              y3="5.813074"
                              z3="0.22106"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.798343"
                              y3="3.237308"
                              z3="-1.601923"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.604396"
                              y3="3.009826"
                              z3="-2.31864"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.419628"
                              y3="-0.52417"
                              z3="1.006789"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.264404"
                              y3="0.009838"
                              z3="2.256852"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.452663"
                              y3="-0.616285"
                              z3="3.283087"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.791225"
                              y3="1.434226"
                              z3="2.168839"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.960989"
                              y3="1.952262"
                              z3="3.12929"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.702174"
                              y3="1.401332"
                              z3="1.95645"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.274546"
                              y3="1.978685"
                              z3="1.336546"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.180494"
                              y3="4.32121"
                              z3="0.576731"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.028503"
                              y3="-1.647899"
                              z3="-3.69063"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.050195"
                              y3="-2.819061"
                              z3="1.387524"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.671018"
                              y3="4.535089"
                              z3="-1.087007"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.148087"
                              y3="-1.954316"
                              z3="0.357353"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.424497"
                              y3="-2.43419"
                              z3="-0.05233"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.530231"
                              y3="-1.964701"
                              z3="0.905688"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.481136"
                              y3="-3.95732"
                              z3="-0.226414"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.626085"
                              y3="-1.963788"
                              z3="-1.042033"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.915643"
                              y3="-2.374231"
                              z3="0.410477"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.347068"
                              y3="-2.3878"
                              z3="1.913145"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.869355"
                              y3="-4.397699"
                              z3="-0.715158"/>
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                              id="a70"
                              x3="1.691503"
                              y3="-4.265321"
                              z3="-0.944421"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.233152"
                              y3="-4.424217"
                              z3="0.748089"/>
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                              id="a72"
                              x3="4.981357"
                              y3="-3.898448"
                              z3="0.22112"/>
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                              id="a73"
                              x3="5.125174"
                              y3="-1.859908"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.680783"
                              y3="-2.029738"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.908799"
                              y3="-5.50352"
                              z3="-0.805984"/>
                        <atom elementType="H"
                              id="a76"
                              x3="4.045767"
                              y3="-3.993202"
                              z3="-1.738284"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.979102"
                              y3="-4.189161"
                              z3="-0.169289"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.874341"
                              y3="-4.393032"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.865407"
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                              z3="1.634706"/>
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                              id="a80"
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                              id="a81"
                              x3="-4.187094"
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                              id="a82"
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                              id="a83"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.36869"
                              y3="5.329875"
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                              x3="0.679626"
                              y3="-2.122839"
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                              id="a86"
                              x3="1.058412"
                              y3="-3.165263"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.020284"
                              y3="-1.120002"
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                        <atom elementType="I"
                              id="a88"
                              x3="-2.44022"
                              y3="1.768472"
                              z3="-2.579108"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.061943"
                              y3="1.838117"
                              z3="0.077454"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070343"
                              y3="-0.528821"
                              z3="-0.372148"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948247"
                              y3="-0.156401"
                              z3="0.446567"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.9212"
                              y3="-1.01839"
                              z3="0.735326"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.039405"
                              y3="-0.592498"
                              z3="1.516693"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.093084"
                              y3="0.822805"
                              z3="2.015583"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.025273"
                              y3="0.960867"
                              z3="2.604149"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.239469"
                              y3="1.042473"
                              z3="2.694655"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046663"
                              y3="1.816556"
                              z3="0.901543"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.55948"
                              y3="1.406649"
                              z3="0.105174"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.732122"
                              y3="3.084307"
                              z3="1.266179"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.614176"
                              y3="3.221899"
                              z3="2.36114"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.822747"
                              y3="2.981941"
                              z3="1.075899"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.781275"
                              y3="4.699312"
                              z3="1.067849"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.577461"
                              y3="5.779743"
                              z3="0.893974"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.725648"
                              y3="4.539788"
                              z3="2.165556"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.704174"
                              y3="3.897462"
                              z3="0.444976"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.592368"
                              y3="4.235897"
                              z3="-0.524953"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.395468"
                              y3="4.092975"
                              z3="1.129572"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.379398"
                              y3="3.432355"
                              z3="2.023267"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.309732"
                              y3="5.142524"
                              z3="1.485751"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.736545"
                              y3="3.784781"
                              z3="0.194415"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.870527"
                              y3="2.45508"
                              z3="-0.309323"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.024658"
                              y3="1.506553"
                              z3="0.110595"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.928225"
                              y3="2.194218"
                              z3="-1.229694"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.176341"
                              y3="0.812999"
                              z3="-1.769478"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.696055"
                              y3="0.202246"
                              z3="-1.000072"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.866759"
                              y3="0.892661"
                              z3="-2.638723"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938006"
                              y3="0.102893"
                              z3="-2.171692"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.260815"
                              y3="0.797999"
                              z3="-2.539073"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.209664"
                              y3="-0.869182"
                              z3="-3.250062"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.992812"
                              y3="-1.569877"
                              z3="-2.889409"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.647238"
                              y3="-0.336318"
                              z3="-4.126408"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.557669"
                              y3="-2.630766"
                              z3="-2.643147"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.255435"
                              y3="-3.35593"
                              z3="-3.12483"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.273957"
                              y3="-3.232095"
                              z3="-2.21714"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.23534"
                              y3="-1.951456"
                              z3="-1.527636"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.021096"
                              y3="-1.398465"
                              z3="-1.908639"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.759023"
                              y3="-2.920772"
                              z3="-0.540504"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.903059"
                              y3="-3.23372"
                              z3="0.097664"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.112295"
                              y3="-3.841331"
                              z3="-1.059294"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.89698"
                              y3="-2.374557"
                              z3="0.283519"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.953598"
                              y3="-3.240898"
                              z3="0.620552"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.91563"
                              y3="-4.279259"
                              z3="0.252101"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.076289"
                              y3="-1.486943"
                              z3="1.833199"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.923131"
                              y3="-1.123578"
                              z3="2.438229"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.630743"
                              y3="4.796043"
                              z3="-0.194471"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.496628"
                              y3="5.810112"
                              z3="0.216197"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.805824"
                              y3="3.230871"
                              z3="-1.600462"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612549"
                              y3="3.001982"
                              z3="-2.315974"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.41417"
                              y3="-0.519995"
                              z3="1.019677"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.246116"
                              y3="0.005313"
                              z3="2.27216"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.427833"
                              y3="-0.626793"
                              z3="3.295903"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.772876"
                              y3="1.430595"
                              z3="2.190712"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.9389"
                              y3="1.942588"
                              z3="3.155119"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.684178"
                              y3="1.400574"
                              z3="1.973914"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.260499"
                              y3="1.979777"
                              z3="1.364075"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.17448"
                              y3="4.320345"
                              z3="0.566873"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.021703"
                              y3="-1.655024"
                              z3="-3.686148"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.042361"
                              y3="-2.819184"
                              z3="1.397092"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.678307"
                              y3="4.529535"
                              z3="-1.088041"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.141755"
                              y3="-1.944828"
                              z3="0.386267"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.411231"
                              y3="-2.424373"
                              z3="-0.041764"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.526822"
                              y3="-1.960054"
                              z3="0.906859"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.467195"
                              y3="-3.945917"
                              z3="-0.227891"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.601882"
                              y3="-1.947457"
                              z3="-1.030317"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.906211"
                              y3="-2.361964"
                              z3="0.389246"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.356526"
                              y3="-2.390692"
                              z3="1.913497"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.84953"
                              y3="-4.379052"
                              z3="-0.739218"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.668472"
                              y3="-4.249845"
                              z3="-0.937562"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.23363"
                              y3="-4.421082"
                              z3="0.746133"/>
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                              id="a72"
                              x3="4.973348"
                              y3="-3.884414"
                              z3="0.185701"/>
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                              id="a73"
                              x3="5.100279"
                              y3="-1.838662"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.681276"
                              y3="-2.021525"
                              z3="1.106527"/>
                        <atom elementType="H"
                              id="a75"
                              x3="3.890499"
                              y3="-5.483983"
                              z3="-0.83971"/>
                        <atom elementType="H"
                              id="a76"
                              x3="4.010758"
                              y3="-3.965787"
                              z3="-1.761355"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.966253"
                              y3="-4.168903"
                              z3="-0.221279"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.881755"
                              y3="-4.387675"
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                              id="a79"
                              x3="-5.856567"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.862377"
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                              id="a81"
                              x3="-4.171342"
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                              id="a84"
                              x3="3.376591"
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                              x3="1.066534"
                              y3="-3.156778"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.007066"
                              y3="-1.1231"
                              z3="2.224184"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.427822"
                              y3="1.766926"
                              z3="-2.583232"/>
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                     <bondArray>
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                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
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                        <bond atomRefs2="a58 a81" order="S"/>
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                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.067608"
                              y3="1.843058"
                              z3="0.076518"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.069567"
                              y3="-0.515883"
                              z3="-0.382376"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.950374"
                              y3="-0.151588"
                              z3="0.435256"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.917384"
                              y3="-1.018904"
                              z3="0.727123"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.037484"
                              y3="-0.598609"
                              z3="1.508772"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.098954"
                              y3="0.816985"
                              z3="2.006782"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.031789"
                              y3="0.950506"
                              z3="2.595195"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.246773"
                              y3="1.041108"
                              z3="2.686347"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.057738"
                              y3="1.81069"
                              z3="0.891838"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.562807"
                              y3="1.394014"
                              z3="0.094185"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.756403"
                              y3="3.073992"
                              z3="1.249783"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.671414"
                              y3="3.200288"
                              z3="2.349127"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.8405"
                              y3="2.972401"
                              z3="1.025756"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.792539"
                              y3="4.680936"
                              z3="1.105685"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.58647"
                              y3="5.766058"
                              z3="0.966677"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.743805"
                              y3="4.487706"
                              z3="2.198403"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713474"
                              y3="3.897605"
                              z3="0.464125"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.610487"
                              y3="4.25082"
                              z3="-0.50151"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.402192"
                              y3="4.091881"
                              z3="1.143083"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.378568"
                              y3="3.422004"
                              z3="2.029197"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.318806"
                              y3="5.138292"
                              z3="1.508995"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.725398"
                              y3="3.795269"
                              z3="0.198575"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.862542"
                              y3="2.468043"
                              z3="-0.310961"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.021196"
                              y3="1.515404"
                              z3="0.10805"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.919281"
                              y3="2.213173"
                              z3="-1.233855"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.173368"
                              y3="0.832354"
                              z3="-1.772287"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692467"
                              y3="0.22291"
                              z3="-1.001082"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.865752"
                              y3="0.913644"
                              z3="-2.63978"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.937496"
                              y3="0.11927"
                              z3="-2.177811"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.259473"
                              y3="0.813374"
                              z3="-2.545852"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.21217"
                              y3="-0.852201"
                              z3="-3.255925"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.9950"
                              y3="-1.552731"
                              z3="-2.893965"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.651139"
                              y3="-0.318517"
                              z3="-4.131013"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.552976"
                              y3="-2.618046"
                              z3="-2.6556"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.253129"
                              y3="-3.339912"
                              z3="-3.138552"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.279199"
                              y3="-3.222775"
                              z3="-2.235652"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.22595"
                              y3="-1.943591"
                              z3="-1.534155"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.015439"
                              y3="-1.392002"
                              z3="-1.909414"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.742922"
                              y3="-2.915775"
                              z3="-0.545662"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.885947"
                              y3="-3.222178"
                              z3="0.094326"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.089876"
                              y3="-3.839153"
                              z3="-1.063423"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.88483"
                              y3="-2.375475"
                              z3="0.277059"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.93617"
                              y3="-3.247657"
                              z3="0.615123"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.892118"
                              y3="-4.286289"
                              z3="0.248101"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.06886"
                              y3="-1.498974"
                              z3="1.826522"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.917595"
                              y3="-1.140222"
                              z3="2.431662"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.613771"
                              y3="4.811421"
                              z3="-0.190635"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.477748"
                              y3="5.823536"
                              z3="0.224231"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.790807"
                              y3="3.254688"
                              z3="-1.605278"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.596868"
                              y3="3.031024"
                              z3="-2.323185"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.47388"
                              y3="-0.522216"
                              z3="0.995964"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.288722"
                              y3="0.023886"
                              z3="2.236687"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.441688"
                              y3="-0.594598"
                              z3="3.273426"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.833142"
                              y3="1.452483"
                              z3="2.126889"/>
                        <atom elementType="H"
                              id="a55"
                              x3="3.007404"
                              y3="1.981736"
                              z3="3.080529"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.743488"
                              y3="1.429327"
                              z3="1.91651"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.322473"
                              y3="1.980711"
                              z3="1.287848"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.181773"
                              y3="4.319065"
                              z3="0.580898"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.01825"
                              y3="-1.63797"
                              z3="-3.695052"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.027264"
                              y3="-2.831387"
                              z3="1.391422"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.658567"
                              y3="4.55176"
                              z3="-1.089617"/>
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                              id="a62"
                              x3="1.16112"
                              y3="-1.903721"
                              z3="0.397644"/>
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                              id="a63"
                              x3="2.418782"
                              y3="-2.421227"
                              z3="-0.02681"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.549504"
                              y3="-1.966204"
                              z3="0.909504"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.43943"
                              y3="-3.94663"
                              z3="-0.188004"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.615244"
                              y3="-1.963375"
                              z3="-1.02327"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.917249"
                              y3="-2.409899"
                              z3="0.395655"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.371513"
                              y3="-2.374406"
                              z3="1.923883"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.809913"
                              y3="-4.419715"
                              z3="-0.695873"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.632122"
                              y3="-4.244915"
                              z3="-0.8901"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.198696"
                              y3="-4.399792"
                              z3="0.794373"/>
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                              id="a72"
                              x3="4.94712"
                              y3="-3.936691"
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                              y3="-1.908481"
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                              id="a74"
                              x3="5.701696"
                              y3="-2.07603"
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                              id="a75"
                              x3="3.824494"
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                              id="a76"
                              x3="3.978265"
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                              id="a77"
                              x3="5.932006"
                              y3="-4.251871"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.845407"
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                              id="a79"
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                              id="a80"
                              x3="-4.868367"
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                              y3="-3.141302"
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                              y3="-1.131705"
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                        <atom elementType="I"
                              id="a88"
                              x3="-2.427095"
                              y3="1.78261"
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                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
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                        <bond atomRefs2="a23 a24" order="S"/>
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                        <bond atomRefs2="a29 a30" order="S"/>
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                        <bond atomRefs2="a34 a36" order="S"/>
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                        <bond atomRefs2="a37 a38" order="S"/>
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                        <bond atomRefs2="a39 a41" order="S"/>
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                        <bond atomRefs2="a42 a43" order="S"/>
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                        <bond atomRefs2="a63 a66" order="S"/>
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                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
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                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.067384"
                              y3="1.845512"
                              z3="0.06857"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070946"
                              y3="-0.524083"
                              z3="-0.354084"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.959903"
                              y3="-0.146659"
                              z3="0.441891"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.927103"
                              y3="-1.011848"
                              z3="0.738959"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.055685"
                              y3="-0.582644"
                              z3="1.503155"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.126704"
                              y3="0.839952"
                              z3="1.979666"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.067909"
                              y3="0.978614"
                              z3="2.553315"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.28482"
                              y3="1.075247"
                              z3="2.668272"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.072097"
                              y3="1.819482"
                              z3="0.852564"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.561141"
                              y3="1.389882"
                              z3="0.051987"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.782552"
                              y3="3.084865"
                              z3="1.181263"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.741801"
                              y3="3.212337"
                              z3="2.282903"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.856796"
                              y3="2.985351"
                              z3="0.913774"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.800021"
                              y3="4.673559"
                              z3="1.098377"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.585583"
                              y3="5.76019"
                              z3="0.986036"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.773575"
                              y3="4.457794"
                              z3="2.187745"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713563"
                              y3="3.897502"
                              z3="0.461362"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.60553"
                              y3="4.254978"
                              z3="-0.502249"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.406481"
                              y3="4.090958"
                              z3="1.149153"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.39183"
                              y3="3.424782"
                              z3="2.038672"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.323505"
                              y3="5.138554"
                              z3="1.512061"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.726574"
                              y3="3.788563"
                              z3="0.213039"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864027"
                              y3="2.459797"
                              z3="-0.291897"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019678"
                              y3="1.509877"
                              z3="0.127359"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.921016"
                              y3="2.201612"
                              z3="-1.213639"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.173386"
                              y3="0.819641"
                              z3="-1.749803"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692167"
                              y3="0.211451"
                              z3="-0.977508"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.867046"
                              y3="0.898282"
                              z3="-2.616579"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.937492"
                              y3="0.106197"
                              z3="-2.154117"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.259784"
                              y3="0.7990"
                              z3="-2.525194"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212074"
                              y3="-0.870333"
                              z3="-3.227647"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.996776"
                              y3="-1.56742"
                              z3="-2.863589"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.648502"
                              y3="-0.341136"
                              z3="-4.106767"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.548392"
                              y3="-2.639191"
                              z3="-2.615234"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.248634"
                              y3="-3.363586"
                              z3="-3.094205"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.285073"
                              y3="-3.240654"
                              z3="-2.193264"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.221318"
                              y3="-1.959476"
                              z3="-1.496839"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.011335"
                              y3="-1.411144"
                              z3="-1.875396"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.73765"
                              y3="-2.922267"
                              z3="-0.498862"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.882339"
                              y3="-3.217108"
                              z3="0.148755"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.077741"
                              y3="-3.853848"
                              z3="-1.006312"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.886397"
                              y3="-2.375283"
                              z3="0.310227"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.937323"
                              y3="-3.245853"
                              z3="0.653474"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.886693"
                              y3="-4.289969"
                              z3="0.303276"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.086803"
                              y3="-1.481635"
                              z3="1.825987"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.942412"
                              y3="-1.116125"
                              z3="2.417239"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.616459"
                              y3="4.8029"
                              z3="-0.177627"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.480118"
                              y3="5.816564"
                              z3="0.233352"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.794122"
                              y3="3.241283"
                              z3="-1.58638"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.600535"
                              y3="3.015295"
                              z3="-2.303174"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.496828"
                              y3="-0.526459"
                              z3="1.015413"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.293463"
                              y3="-0.001332"
                              z3="2.262301"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.412291"
                              y3="-0.64149"
                              z3="3.29026"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.861949"
                              y3="1.437096"
                              z3="2.1709"/>
                        <atom elementType="H"
                              id="a55"
                              x3="3.052446"
                              y3="1.954127"
                              z3="3.128237"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.769099"
                              y3="1.433836"
                              z3="1.973348"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.349921"
                              y3="1.965796"
                              z3="1.331593"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.179493"
                              y3="4.328979"
                              z3="0.536296"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.017269"
                              y3="-1.662182"
                              z3="-3.660019"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.036539"
                              y3="-2.8209"
                              z3="1.413563"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.662713"
                              y3="4.539664"
                              z3="-1.073828"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.181019"
                              y3="-1.888946"
                              z3="0.431189"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.424861"
                              y3="-2.400334"
                              z3="-0.031484"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.568636"
                              y3="-1.969299"
                              z3="0.898607"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.443296"
                              y3="-3.92057"
                              z3="-0.236953"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.606116"
                              y3="-1.917852"
                              z3="-1.018963"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.928957"
                              y3="-2.400028"
                              z3="0.355491"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.40192"
                              y3="-2.398175"
                              z3="1.906546"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.806233"
                              y3="-4.376657"
                              z3="-0.779392"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.625659"
                              y3="-4.199345"
                              z3="-0.935337"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.218391"
                              y3="-4.404023"
                              z3="0.734675"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.95598"
                              y3="-3.921117"
                              z3="0.133761"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.120671"
                              y3="-1.871002"
                              z3="-0.60487"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.723678"
                              y3="-2.086032"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.820133"
                              y3="-5.480672"
                              z3="-0.896156"/>
                        <atom elementType="H"
                              id="a76"
                              x3="3.959858"
                              y3="-3.952476"
                              z3="-1.79827"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.93538"
                              y3="-4.224728"
                              z3="-0.291699"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.866517"
                              y3="-4.433966"
                              z3="1.116971"/>
                        <atom elementType="H"
                              id="a79"
                              x3="-5.846476"
                              y3="-3.520001"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.864302"
                              y3="5.178228"
                              z3="0.738752"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.133809"
                              y3="4.225275"
                              z3="-0.570348"/>
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                              id="a82"
                              x3="0.256099"
                              y3="-2.239762"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.827898"
                              y3="-0.965417"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.357414"
                              y3="5.336144"
                              z3="-1.378745"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.682652"
                              y3="-2.110236"
                              z3="2.013525"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.114423"
                              y3="-3.132513"
                              z3="2.508007"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.043313"
                              y3="-1.154344"
                              z3="2.245723"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.400364"
                              y3="1.780959"
                              z3="-2.595864"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.065112"
                              y3="1.847064"
                              z3="0.062951"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.073617"
                              y3="-0.524379"
                              z3="-0.367499"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.95761"
                              y3="-0.146901"
                              z3="0.430239"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.92059"
                              y3="-1.015056"
                              z3="0.733096"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.04533"
                              y3="-0.588475"
                              z3="1.504137"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.119706"
                              y3="0.835703"
                              z3="1.97627"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.05998"
                              y3="0.972693"
                              z3="2.551704"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.277212"
                              y3="1.076851"
                              z3="2.662192"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.072318"
                              y3="1.811027"
                              z3="0.844743"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.557281"
                              y3="1.373434"
                              z3="0.046226"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.792173"
                              y3="3.073952"
                              z3="1.165385"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.778141"
                              y3="3.194146"
                              z3="2.268467"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.859404"
                              y3="2.975401"
                              z3="0.871426"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.801504"
                              y3="4.655138"
                              z3="1.126196"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.585895"
                              y3="5.743956"
                              z3="1.040068"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.783146"
                              y3="4.414494"
                              z3="2.210489"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.711703"
                              y3="3.892934"
                              z3="0.47888"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.606475"
                              y3="4.263963"
                              z3="-0.479871"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.40567"
                              y3="4.082088"
                              z3="1.167399"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.391742"
                              y3="3.411383"
                              z3="2.052768"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.322416"
                              y3="5.1276"
                              z3="1.536352"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.726966"
                              y3="3.784645"
                              z3="0.22809"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.862694"
                              y3="2.45894"
                              z3="-0.287256"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019434"
                              y3="1.506402"
                              z3="0.128438"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.916454"
                              y3="2.206502"
                              z3="-1.2140"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.165167"
                              y3="0.82899"
                              z3="-1.764259"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.690634"
                              y3="0.213509"
                              z3="-1.001872"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.852544"
                              y3="0.91671"
                              z3="-2.635294"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.927013"
                              y3="0.118677"
                              z3="-2.16713"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.247817"
                              y3="0.814658"
                              z3="-2.529879"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.195001"
                              y3="-0.849932"
                              z3="-3.249526"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.982027"
                              y3="-1.549817"
                              z3="-2.895468"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.625809"
                              y3="-0.314027"
                              z3="-4.127431"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.563451"
                              y3="-2.62251"
                              z3="-2.642389"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.265776"
                              y3="-3.343918"
                              z3="-3.12281"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.272678"
                              y3="-3.226686"
                              z3="-2.230356"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229209"
                              y3="-1.951727"
                              z3="-1.514866"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.02138"
                              y3="-1.400262"
                              z3="-1.883885"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.737467"
                              y3="-2.920789"
                              z3="-0.518998"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.877183"
                              y3="-3.219533"
                              z3="0.120403"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.081796"
                              y3="-3.849329"
                              z3="-1.029152"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.879583"
                              y3="-2.377909"
                              z3="0.302462"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.924956"
                              y3="-3.251681"
                              z3="0.654152"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.874497"
                              y3="-4.295466"
                              z3="0.302952"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.070653"
                              y3="-1.49091"
                              z3="1.835838"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.923313"
                              y3="-1.12788"
                              z3="2.432848"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.61829"
                              y3="4.80024"
                              z3="-0.155644"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.48448"
                              y3="5.810991"
                              z3="0.263252"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.790961"
                              y3="3.247776"
                              z3="-1.579203"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.595611"
                              y3="3.026531"
                              z3="-2.299439"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.541029"
                              y3="-0.51429"
                              z3="0.99084"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.306205"
                              y3="0.031657"
                              z3="2.222051"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.39089"
                              y3="-0.591378"
                              z3="3.264232"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.889077"
                              y3="1.47078"
                              z3="2.099328"/>
                        <atom elementType="H"
                              id="a55"
                              x3="3.080563"
                              y3="2.004854"
                              z3="3.047179"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.797657"
                              y3="1.471674"
                              z3="1.900058"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.383989"
                              y3="1.979297"
                              z3="1.251927"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.176038"
                              y3="4.323743"
                              z3="0.544223"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.037375"
                              y3="-1.637357"
                              z3="-3.681794"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.01881"
                              y3="-2.830244"
                              z3="1.423877"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.663187"
                              y3="4.541888"
                              z3="-1.055021"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.19155"
                              y3="-1.863164"
                              z3="0.418725"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.435442"
                              y3="-2.394254"
                              z3="-0.021004"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.584389"
                              y3="-1.960298"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.435443"
                              y3="-3.919542"
                              z3="-0.191951"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.633435"
                              y3="-1.933487"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.939418"
                              y3="-2.42206"
                              z3="0.374254"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.408289"
                              y3="-2.364113"
                              z3="1.921666"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.793034"
                              y3="-4.407893"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.616986"
                              y3="-4.204031"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.20026"
                              y3="-4.376828"
                              z3="0.789781"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.946163"
                              y3="-3.947571"
                              z3="0.186219"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.139686"
                              y3="-1.915991"
                              z3="-0.596734"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.737546"
                              y3="-2.104281"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.791537"
                              y3="-5.514406"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.955405"
                              y3="-4.009529"
                              z3="-1.746808"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.922437"
                              y3="-4.273969"
                              z3="-0.229518"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.847372"
                              y3="-4.436844"
                              z3="1.180549"/>
                        <atom elementType="H"
                              id="a79"
                              x3="-5.824136"
                              y3="-3.532053"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.860285"
                              y3="5.17283"
                              z3="0.74926"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.117339"
                              y3="4.234202"
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                        <atom elementType="H"
                              id="a82"
                              x3="0.230361"
                              y3="-2.207851"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.848636"
                              y3="-0.936861"
                              z3="-3.98232"/>
                        <atom elementType="H"
                              id="a84"
                              x3="3.359446"
                              y3="5.339325"
                              z3="-1.353804"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.672624"
                              y3="-2.13618"
                              z3="2.002228"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.125149"
                              y3="-3.162502"
                              z3="2.467263"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.075964"
                              y3="-1.202156"
                              z3="2.245803"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.397275"
                              y3="1.809672"
                              z3="-2.600308"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.055601"
                              y3="1.849319"
                              z3="0.045353"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.069398"
                              y3="-0.535098"
                              z3="-0.353326"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.954438"
                              y3="-0.139502"
                              z3="0.432773"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.915553"
                              y3="-1.00482"
                              z3="0.749188"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.037673"
                              y3="-0.568985"
                              z3="1.518628"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.113042"
                              y3="0.86294"
                              z3="1.966702"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.052885"
                              y3="1.008343"
                              z3="2.540646"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.270236"
                              y3="1.11702"
                              z3="2.647657"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.068905"
                              y3="1.817778"
                              z3="0.817196"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.546292"
                              y3="1.35976"
                              z3="0.025813"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.800028"
                              y3="3.082566"
                              z3="1.106418"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.827093"
                              y3="3.208198"
                              z3="2.208657"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.855528"
                              y3="2.983342"
                              z3="0.773657"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.795595"
                              y3="4.648423"
                              z3="1.112013"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.574812"
                              y3="5.737524"
                              z3="1.045433"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.7929"
                              y3="4.391398"
                              z3="2.192776"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.700582"
                              y3="3.892081"
                              z3="0.466823"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.591617"
                              y3="4.268131"
                              z3="-0.489547"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.395001"
                              y3="4.078226"
                              z3="1.159527"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.381674"
                              y3="3.406085"
                              z3="2.044834"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.311048"
                              y3="5.123683"
                              z3="1.528429"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.738026"
                              y3="3.778387"
                              z3="0.221982"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.871478"
                              y3="2.451685"
                              z3="-0.289315"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.027302"
                              y3="1.501987"
                              z3="0.130943"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925188"
                              y3="2.194147"
                              z3="-1.214395"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.172857"
                              y3="0.813394"
                              z3="-1.756712"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.699894"
                              y3="0.204622"
                              z3="-0.990628"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.858013"
                              y3="0.894992"
                              z3="-2.629918"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.93416"
                              y3="0.099769"
                              z3="-2.152324"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.254774"
                              y3="0.794164"
                              z3="-2.518072"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.2004"
                              y3="-0.875632"
                              z3="-3.229489"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.986079"
                              y3="-1.574943"
                              z3="-2.871647"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.632296"
                              y3="-0.345214"
                              z3="-4.110035"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.561177"
                              y3="-2.643623"
                              z3="-2.613516"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.264345"
                              y3="-3.366071"
                              z3="-3.091026"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.273553"
                              y3="-3.24741"
                              z3="-2.197201"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.226552"
                              y3="-1.96525"
                              z3="-1.490029"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.017928"
                              y3="-1.414423"
                              z3="-1.861703"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.738795"
                              y3="-2.926115"
                              z3="-0.488268"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.879488"
                              y3="-3.228418"
                              z3="0.150463"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.090814"
                              y3="-3.854386"
                              z3="-0.993737"/>
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                              id="a42"
                              x3="-2.875583"
                              y3="-2.372607"
                              z3="0.334336"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.918136"
                              y3="-3.24267"
                              z3="0.703159"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.868878"
                              y3="-4.290771"
                              z3="0.364813"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.060274"
                              y3="-1.467896"
                              z3="1.867625"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.910874"
                              y3="-1.09789"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.631479"
                              y3="4.791305"
                              z3="-0.163674"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.499512"
                              y3="5.803419"
                              z3="0.252525"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.802029"
                              y3="3.232441"
                              z3="-1.582242"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.607012"
                              y3="3.007545"
                              z3="-2.301004"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.517742"
                              y3="-0.515498"
                              z3="1.039977"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.237127"
                              y3="-0.011222"
                              z3="2.280604"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.282169"
                              y3="-0.67042"
                              z3="3.302598"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.828791"
                              y3="1.434571"
                              z3="2.194498"/>
                        <atom elementType="H"
                              id="a55"
                              x3="3.005428"
                              y3="1.937917"
                              z3="3.161963"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.739554"
                              y3="1.448875"
                              z3="1.977103"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.340668"
                              y3="1.966429"
                              z3="1.371907"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.161903"
                              y3="4.329961"
                              z3="0.502929"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.033153"
                              y3="-1.663805"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.008219"
                              y3="-2.812657"
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                        <atom elementType="C"
                              id="a61"
                              x3="2.676235"
                              y3="4.528332"
                              z3="-1.061952"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.194992"
                              y3="-1.861854"
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                        <atom elementType="C"
                              id="a63"
                              x3="2.429694"
                              y3="-2.375557"
                              z3="-0.020944"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.5820"
                              y3="-1.957462"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.44537"
                              y3="-3.893943"
                              z3="-0.244999"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.605301"
                              y3="-1.886591"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.936569"
                              y3="-2.381902"
                              z3="0.341872"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.420548"
                              y3="-2.398487"
                              z3="1.90735"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.801931"
                              y3="-4.342825"
                              z3="-0.808749"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.619205"
                              y3="-4.164075"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.232431"
                              y3="-4.39104"
                              z3="0.721856"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.961189"
                              y3="-3.899831"
                              z3="0.099131"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.119014"
                              y3="-1.841685"
                              z3="-0.614107"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.738971"
                              y3="-2.076624"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.813985"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.945638"
                              y3="-3.905443"
                              z3="-1.823537"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.936302"
                              y3="-4.197115"
                              z3="-0.340489"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.881741"
                              y3="-4.426659"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.811034"
                              y3="-3.512119"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.844503"
                              y3="5.183026"
                              z3="0.696633"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.081412"
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                              id="a82"
                              x3="0.234127"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.843998"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.374282"
                              y3="5.32354"
                              z3="-1.36255"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.65659"
                              y3="-2.166011"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.122149"
                              y3="-3.184358"
                              z3="2.492219"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.115979"
                              y3="-1.253321"
                              z3="2.263755"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.370846"
                              y3="1.801544"
                              z3="-2.617241"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.060037"
                              y3="1.849927"
                              z3="0.043333"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.067118"
                              y3="-0.528595"
                              z3="-0.363702"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.953827"
                              y3="-0.136355"
                              z3="0.424413"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.912988"
                              y3="-1.002951"
                              z3="0.743822"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.031809"
                              y3="-0.569658"
                              z3="1.519482"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.107532"
                              y3="0.861958"
                              z3="1.96841"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.04343"
                              y3="1.005714"
                              z3="2.549038"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.260365"
                              y3="1.117956"
                              z3="2.643164"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.073772"
                              y3="1.815553"
                              z3="0.817324"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.550541"
                              y3="1.352815"
                              z3="0.028513"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.809645"
                              y3="3.078622"
                              z3="1.104488"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.859463"
                              y3="3.193602"
                              z3="2.207068"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.857955"
                              y3="2.984371"
                              z3="0.748879"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.794946"
                              y3="4.631473"
                              z3="1.149934"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.570268"
                              y3="5.721097"
                              z3="1.109137"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.79626"
                              y3="4.349558"
                              z3="2.224524"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.701714"
                              y3="3.886439"
                              z3="0.489556"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.597606"
                              y3="4.276669"
                              z3="-0.461716"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.393258"
                              y3="4.064328"
                              z3="1.178173"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.373881"
                              y3="3.377222"
                              z3="2.051093"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.309307"
                              y3="5.103777"
                              z3="1.563602"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.734725"
                              y3="3.779135"
                              z3="0.229315"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.868939"
                              y3="2.456341"
                              z3="-0.292767"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.027583"
                              y3="1.50347"
                              z3="0.124998"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.918375"
                              y3="2.206683"
                              z3="-1.224425"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.170253"
                              y3="0.827825"
                              z3="-1.77033"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.700871"
                              y3="0.219851"
                              z3="-1.005579"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.853862"
                              y3="0.912873"
                              z3="-2.644468"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.933541"
                              y3="0.109667"
                              z3="-2.164381"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.251338"
                              y3="0.801796"
                              z3="-2.529355"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.199917"
                              y3="-0.865307"
                              z3="-3.241583"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.983939"
                              y3="-1.566312"
                              z3="-2.883362"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.633277"
                              y3="-0.334944"
                              z3="-4.121495"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.565251"
                              y3="-2.631287"
                              z3="-2.628988"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.270598"
                              y3="-3.350699"
                              z3="-3.107886"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.268362"
                              y3="-3.237855"
                              z3="-2.215272"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.228322"
                              y3="-1.955123"
                              z3="-1.502784"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.018708"
                              y3="-1.40146"
                              z3="-1.872345"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.741832"
                              y3="-2.92012"
                              z3="-0.505619"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.881538"
                              y3="-3.230367"
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                        <atom elementType="H"
                              id="a41"
                              x3="-2.099003"
                              y3="-3.843557"
                              z3="-1.016378"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.873919"
                              y3="-2.369279"
                              z3="0.325023"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.9133"
                              y3="-3.241484"
                              z3="0.697794"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.864832"
                              y3="-4.288768"
                              z3="0.356798"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.051419"
                              y3="-1.470548"
                              z3="1.872067"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.899552"
                              y3="-1.102791"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.621156"
                              y3="4.797928"
                              z3="-0.156645"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.489145"
                              y3="5.806906"
                              z3="0.267069"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.788131"
                              y3="3.250949"
                              z3="-1.592563"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.58981"
                              y3="3.033325"
                              z3="-2.31722"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.541553"
                              y3="-0.51419"
                              z3="1.015976"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.24742"
                              y3="0.017481"
                              z3="2.240999"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.280336"
                              y3="-0.61758"
                              z3="3.27868"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.841361"
                              y3="1.460503"
                              z3="2.118116"/>
                        <atom elementType="H"
                              id="a55"
                              x3="3.010651"
                              y3="1.985375"
                              z3="3.075412"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.754708"
                              y3="1.47149"
                              z3="1.891459"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.361649"
                              y3="1.973137"
                              z3="1.288665"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.158969"
                              y3="4.331649"
                              z3="0.526574"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.035296"
                              y3="-1.650441"
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                        <atom elementType="C"
                              id="a60"
                              x3="-4.999501"
                              y3="-2.814507"
                              z3="1.475327"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.659865"
                              y3="4.543799"
                              z3="-1.064765"/>
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                              x3="1.196797"
                              y3="-1.861674"
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                              id="a63"
                              x3="2.439372"
                              y3="-2.382929"
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                        <atom elementType="C"
                              id="a64"
                              x3="3.588145"
                              y3="-1.959538"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.443903"
                              y3="-3.904214"
                              z3="-0.219782"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.633334"
                              y3="-1.903648"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.943611"
                              y3="-2.408195"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.413166"
                              y3="-2.377991"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.802703"
                              y3="-4.376183"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.625377"
                              y3="-4.176564"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.21176"
                              y3="-4.383348"
                              z3="0.75205"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.954746"
                              y3="-3.930076"
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                        <atom elementType="H"
                              id="a73"
                              x3="5.14129"
                              y3="-1.885776"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.74226"
                              y3="-2.099908"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.805217"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.963299"
                              y3="-3.956316"
                              z3="-1.777826"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.931783"
                              y3="-4.24534"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.857864"
                              y3="-4.438798"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.799872"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.838261"
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                              id="a81"
                              x3="-4.069403"
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                              id="a82"
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                              id="a83"
                              x3="-0.844291"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.352351"
                              y3="5.343499"
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                        <atom elementType="C"
                              id="a85"
                              x3="0.652101"
                              y3="-2.183769"
                              z3="1.999329"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.123516"
                              y3="-3.205196"
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                        <atom elementType="O"
                              id="a87"
                              x3="-0.130139"
                              y3="-1.278266"
                              z3="2.241722"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.374071"
                              y3="1.817713"
                              z3="-2.617918"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.058567"
                              y3="1.848312"
                              z3="0.030149"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.065339"
                              y3="-0.535884"
                              z3="-0.361725"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.952395"
                              y3="-0.132418"
                              z3="0.4217"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.913862"
                              y3="-0.993268"
                              z3="0.749831"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.026075"
                              y3="-0.550835"
                              z3="1.529744"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095331"
                              y3="0.885294"
                              z3="1.965887"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.024052"
                              y3="1.035969"
                              z3="2.555957"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.240092"
                              y3="1.147431"
                              z3="2.628013"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.074712"
                              y3="1.825273"
                              z3="0.802447"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.553676"
                              y3="1.348014"
                              z3="0.024002"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.814502"
                              y3="3.090873"
                              z3="1.07183"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.90541"
                              y3="3.199616"
                              z3="2.172393"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.848814"
                              y3="3.004807"
                              z3="0.676277"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.777677"
                              y3="4.614669"
                              z3="1.168985"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.542759"
                              y3="5.702891"
                              z3="1.160331"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.789115"
                              y3="4.30284"
                              z3="2.235314"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.687851"
                              y3="3.878194"
                              z3="0.493918"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.589583"
                              y3="4.279428"
                              z3="-0.453341"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.37455"
                              y3="4.046328"
                              z3="1.175683"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.351124"
                              y3="3.34932"
                              z3="2.040745"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.285661"
                              y3="5.081305"
                              z3="1.571977"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.745217"
                              y3="3.765763"
                              z3="0.216218"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.876259"
                              y3="2.443028"
                              z3="-0.306084"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.033939"
                              y3="1.492972"
                              z3="0.115503"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.921346"
                              y3="2.191595"
                              z3="-1.241964"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.174068"
                              y3="0.810594"
                              z3="-1.782153"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.70742"
                              y3="0.207173"
                              z3="-1.015916"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.855933"
                              y3="0.892066"
                              z3="-2.658089"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.937867"
                              y3="0.087929"
                              z3="-2.169016"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.254945"
                              y3="0.776107"
                              z3="-2.540245"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.203974"
                              y3="-0.897327"
                              z3="-3.236622"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.98083"
                              y3="-1.601281"
                              z3="-2.868938"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.645795"
                              y3="-0.377357"
                              z3="-4.118601"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.575532"
                              y3="-2.647403"
                              z3="-2.619166"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.284867"
                              y3="-3.36386"
                              z3="-3.09671"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.252155"
                              y3="-3.258448"
                              z3="-2.199677"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.237215"
                              y3="-1.961311"
                              z3="-1.49787"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.022289"
                              y3="-1.403687"
                              z3="-1.872659"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.75969"
                              y3="-2.921071"
                              z3="-0.50069"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.900698"
                              y3="-3.24269"
                              z3="0.128855"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.128807"
                              y3="-3.839506"
                              z3="-1.012234"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.883308"
                              y3="-2.360935"
                              z3="0.335654"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.923937"
                              y3="-3.226921"
                              z3="0.719565"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.882606"
                              y3="-4.275866"
                              z3="0.382726"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.047152"
                              y3="-1.445656"
                              z3="1.893256"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.890276"
                              y3="-1.071496"
                              z3="2.496884"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.625469"
                              y3="4.785964"
                              z3="-0.179514"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.495393"
                              y3="5.795451"
                              z3="0.2436"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.785324"
                              y3="3.237179"
                              z3="-1.619911"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.582763"
                              y3="3.019362"
                              z3="-2.349198"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.491256"
                              y3="-0.505167"
                              z3="1.04664"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.207693"
                              y3="-0.005702"
                              z3="2.287699"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.256539"
                              y3="-0.667476"
                              z3="3.308346"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.7953"
                              y3="1.438355"
                              z3="2.206271"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.969693"
                              y3="1.938588"
                              z3="3.175767"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.706758"
                              y3="1.450068"
                              z3="1.988103"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.307221"
                              y3="1.974359"
                              z3="1.386374"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.138425"
                              y3="4.344316"
                              z3="0.524717"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.034997"
                              y3="-1.676744"
                              z3="-3.665201"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.002842"
                              y3="-2.791825"
                              z3="1.502844"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.656782"
                              y3="4.531703"
                              z3="-1.096118"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.180816"
                              y3="-1.888207"
                              z3="0.432301"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.433266"
                              y3="-2.377449"
                              z3="-0.027144"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.568621"
                              y3="-1.946974"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.471132"
                              y3="-3.894397"
                              z3="-0.258035"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.617313"
                              y3="-1.8791"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.93554"
                              y3="-2.357746"
                              z3="0.371688"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.39868"
                              y3="-2.38634"
                              z3="1.91674"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.84136"
                              y3="-4.3274"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.660687"
                              y3="-4.168988"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.245448"
                              y3="-4.398032"
                              z3="0.702646"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.979748"
                              y3="-3.874593"
                              z3="0.127672"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.126117"
                              y3="-1.812615"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.724578"
                              y3="-2.046518"
                              z3="1.087115"/>
                        <atom elementType="H"
                              id="a75"
                              x3="3.867563"
                              y3="-5.429164"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.996816"
                              y3="-3.884839"
                              z3="-1.811029"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.965576"
                              y3="-4.161859"
                              z3="-0.294339"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.887989"
                              y3="-4.40302"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.804098"
                              y3="-3.48839"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.809405"
                              y3="5.20362"
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                        <atom elementType="H"
                              id="a81"
                              x3="-4.035013"
                              y3="4.292208"
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                        <atom elementType="H"
                              id="a82"
                              x3="0.230117"
                              y3="-2.258593"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.838079"
                              y3="-0.971097"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.344333"
                              y3="5.33235"
                              z3="-1.40637"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.630134"
                              y3="-2.215077"
                              z3="1.999179"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.101947"
                              y3="-3.235868"
                              z3="2.455674"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.149524"
                              y3="-1.30897"
                              z3="2.240491"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.357814"
                              y3="1.818052"
                              z3="-2.629918"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.050028"
                              y3="1.84736"
                              z3="0.034478"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.064921"
                              y3="-0.537792"
                              z3="-0.377351"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.945624"
                              y3="-0.135973"
                              z3="0.421821"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.908003"
                              y3="-0.996547"
                              z3="0.747833"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.016856"
                              y3="-0.555609"
                              z3="1.533508"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.082629"
                              y3="0.879505"
                              z3="1.973826"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.009297"
                              y3="1.030127"
                              z3="2.567166"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.224976"
                              y3="1.139358"
                              z3="2.633783"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.064875"
                              y3="1.821576"
                              z3="0.811892"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.544761"
                              y3="1.345089"
                              z3="0.033576"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.804777"
                              y3="3.086462"
                              z3="1.084279"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.900184"
                              y3="3.189922"
                              z3="2.185046"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.837541"
                              y3="3.002992"
                              z3="0.684241"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.763913"
                              y3="4.604699"
                              z3="1.191005"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.527798"
                              y3="5.692711"
                              z3="1.192859"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.773591"
                              y3="4.282322"
                              z3="2.254249"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.676183"
                              y3="3.873928"
                              z3="0.506403"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.581971"
                              y3="4.281682"
                              z3="-0.438494"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.360409"
                              y3="4.039608"
                              z3="1.183313"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.333953"
                              y3="3.342971"
                              z3="2.048682"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.268828"
                              y3="5.074654"
                              z3="1.578927"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.75612"
                              y3="3.759153"
                              z3="0.21994"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.881918"
                              y3="2.438776"
                              z3="-0.309982"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.039826"
                              y3="1.488242"
                              z3="0.110294"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.922703"
                              y3="2.189899"
                              z3="-1.251624"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.168995"
                              y3="0.812638"
                              z3="-1.805042"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.709351"
                              y3="0.204553"
                              z3="-1.047514"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.841797"
                              y3="0.901015"
                              z3="-2.6873"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.9306"
                              y3="0.09061"
                              z3="-2.186147"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.245467"
                              y3="0.779522"
                              z3="-2.551935"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.19312"
                              y3="-0.89011"
                              z3="-3.258657"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.975778"
                              y3="-1.591422"
                              z3="-2.897981"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.6270"
                              y3="-0.365486"
                              z3="-4.141828"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.578882"
                              y3="-2.644078"
                              z3="-2.633628"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.28428"
                              y3="-3.366054"
                              z3="-3.108808"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.252819"
                              y3="-3.24885"
                              z3="-2.212965"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.243541"
                              y3="-1.959036"
                              z3="-1.513694"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.030507"
                              y3="-1.404145"
                              z3="-1.888411"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.762388"
                              y3="-2.920644"
                              z3="-0.516371"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.900197"
                              y3="-3.242768"
                              z3="0.108495"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.133912"
                              y3="-3.837981"
                              z3="-1.028314"/>
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                              id="a42"
                              x3="-2.882097"
                              y3="-2.362094"
                              z3="0.326166"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.923649"
                              y3="-3.227417"
                              z3="0.709006"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.886146"
                              y3="-4.274614"
                              z3="0.366285"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.038759"
                              y3="-1.449853"
                              z3="1.896052"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.879138"
                              y3="-1.076728"
                              z3="2.504143"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.640121"
                              y3="4.778105"
                              z3="-0.170647"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.514759"
                              y3="5.785443"
                              z3="0.258954"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.790426"
                              y3="3.234498"
                              z3="-1.624011"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.585066"
                              y3="3.018568"
                              z3="-2.356916"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.447678"
                              y3="-0.49814"
                              z3="1.030503"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.186995"
                              y3="0.018277"
                              z3="2.269752"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.268372"
                              y3="-0.624881"
                              z3="3.299811"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.750921"
                              y3="1.454681"
                              z3="2.170439"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.900297"
                              y3="1.964615"
                              z3="3.138878"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.667753"
                              y3="1.450338"
                              z3="1.92581"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.273162"
                              y3="1.991393"
                              z3="1.357382"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.126011"
                              y3="4.342329"
                              z3="0.546193"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.04501"
                              y3="-1.673211"
                              z3="-3.682255"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-4.998773"
                              y3="-2.79406"
                              z3="1.498497"/>
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                              id="a61"
                              x3="2.669109"
                              y3="4.525608"
                              z3="-1.090357"/>
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                              x3="1.159511"
                              y3="-1.912421"
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                              x3="2.423429"
                              y3="-2.389806"
                              z3="-0.03543"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.543968"
                              y3="-1.940156"
                              z3="0.914674"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.474843"
                              y3="-3.909236"
                              z3="-0.245143"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.617747"
                              y3="-1.901204"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.921149"
                              y3="-2.345452"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.366981"
                              y3="-2.37315"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.855318"
                              y3="-4.340413"
                              z3="-0.762451"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.675302"
                              y3="-4.199719"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.239699"
                              y3="-4.399338"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.97975"
                              y3="-3.865513"
                              z3="0.172034"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.1201"
                              y3="-1.813463"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.698024"
                              y3="-2.017168"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.891315"
                              y3="-5.443847"
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                        <atom elementType="H"
                              id="a76"
                              x3="4.020523"
                              y3="-3.911844"
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                        <atom elementType="H"
                              id="a77"
                              x3="5.972035"
                              y3="-4.150767"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.882253"
                              y3="-4.381366"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.80062"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.79491"
                              y3="5.201526"
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                              id="a81"
                              x3="-4.023608"
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                              id="a82"
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                              id="a83"
                              x3="-0.851352"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.359965"
                              y3="5.325258"
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                        <atom elementType="C"
                              id="a85"
                              x3="0.640439"
                              y3="-2.20769"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.099102"
                              y3="-3.2375"
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                        <atom elementType="O"
                              id="a87"
                              x3="-0.110903"
                              y3="-1.282029"
                              z3="2.242838"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.364556"
                              y3="1.826214"
                              z3="-2.623974"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.051691"
                              y3="1.844903"
                              z3="0.04309"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070243"
                              y3="-0.537953"
                              z3="-0.383286"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.950566"
                              y3="-0.141928"
                              z3="0.424902"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.916089"
                              y3="-1.001635"
                              z3="0.743053"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.027122"
                              y3="-0.563124"
                              z3="1.527397"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.088674"
                              y3="0.86793"
                              z3="1.98048"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.017029"
                              y3="1.017247"
                              z3="2.571582"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.232263"
                              y3="1.115892"
                              z3="2.646359"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.061646"
                              y3="1.821428"
                              z3="0.828577"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.545838"
                              y3="1.357826"
                              z3="0.044933"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.79225"
                              y3="3.087707"
                              z3="1.116869"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.85328"
                              y3="3.196283"
                              z3="2.219555"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.837056"
                              y3="3.002094"
                              z3="0.749321"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.761354"
                              y3="4.622027"
                              z3="1.173124"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.528325"
                              y3="5.710328"
                              z3="1.144646"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.759701"
                              y3="4.327843"
                              z3="2.244352"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.677634"
                              y3="3.876721"
                              z3="0.49749"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.58193"
                              y3="4.272449"
                              z3="-0.452362"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.361647"
                              y3="4.044913"
                              z3="1.173706"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.336514"
                              y3="3.353281"
                              z3="2.043205"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.268892"
                              y3="5.082013"
                              z3="1.563471"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.755848"
                              y3="3.758954"
                              z3="0.213261"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.880024"
                              y3="2.437455"
                              z3="-0.314208"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.035631"
                              y3="1.488376"
                              z3="0.105306"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.923293"
                              y3="2.185567"
                              z3="-1.252115"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.167259"
                              y3="0.807946"
                              z3="-1.804566"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.70301"
                              y3="0.197429"
                              z3="-1.04603"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.842901"
                              y3="0.8946"
                              z3="-2.684781"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.926989"
                              y3="0.091142"
                              z3="-2.18915"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.244789"
                              y3="0.782585"
                              z3="-2.55546"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.189569"
                              y3="-0.889566"
                              z3="-3.261997"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.97284"
                              y3="-1.590188"
                              z3="-2.901369"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.622875"
                              y3="-0.364316"
                              z3="-4.145021"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.579933"
                              y3="-2.645624"
                              z3="-2.636129"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.282195"
                              y3="-3.37073"
                              z3="-3.11119"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.252758"
                              y3="-3.247199"
                              z3="-2.212704"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.248598"
                              y3="-1.96025"
                              z3="-1.518892"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.035909"
                              y3="-1.40768"
                              z3="-1.896399"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.766985"
                              y3="-2.922003"
                              z3="-0.521406"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.905185"
                              y3="-3.239294"
                              z3="0.106523"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.133319"
                              y3="-3.841855"
                              z3="-1.032451"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.89124"
                              y3="-2.365637"
                              z3="0.315951"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.93665"
                              y3="-3.230653"
                              z3="0.68906"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.899351"
                              y3="-4.27624"
                              z3="0.341493"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.052836"
                              y3="-1.45686"
                              z3="1.880206"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.894526"
                              y3="-1.085136"
                              z3="2.487333"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.644309"
                              y3="4.775015"
                              z3="-0.174855"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.519903"
                              y3="5.783032"
                              z3="0.253412"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.795436"
                              y3="3.227227"
                              z3="-1.62232"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.591832"
                              y3="3.008179"
                              z3="-2.352379"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.421134"
                              y3="-0.497469"
                              z3="1.02752"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.215351"
                              y3="0.017258"
                              z3="2.277981"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.355666"
                              y3="-0.625276"
                              z3="3.302161"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.760076"
                              y3="1.4484"
                              z3="2.198257"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.92745"
                              y3="1.954815"
                              z3="3.165495"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.671729"
                              y3="1.432108"
                              z3="1.979066"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.25635"
                              y3="1.99514"
                              z3="1.375375"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.130099"
                              y3="4.34061"
                              z3="0.551483"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.047244"
                              y3="-1.674576"
                              z3="-3.68562"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.014845"
                              y3="-2.798829"
                              z3="1.475045"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.676119"
                              y3="4.519101"
                              z3="-1.090312"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.147329"
                              y3="-1.929383"
                              z3="0.392504"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.41711"
                              y3="-2.399919"
                              z3="-0.040781"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.53194"
                              y3="-1.937808"
                              z3="0.909925"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.481067"
                              y3="-3.919919"
                              z3="-0.241951"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.606966"
                              y3="-1.914888"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.913184"
                              y3="-2.333336"
                              z3="0.392326"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.359969"
                              y3="-2.371613"
                              z3="1.914862"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.865435"
                              y3="-4.342632"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.684602"
                              y3="-4.220472"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.248693"
                              y3="-4.406557"
                              z3="0.726304"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.985136"
                              y3="-3.853662"
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                        <atom elementType="H"
                              id="a73"
                              x3="5.108536"
                              y3="-1.802502"
                              z3="-0.566268"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.6860"
                              y3="-1.9963"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.910399"
                              y3="-5.446334"
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                        <atom elementType="H"
                              id="a76"
                              x3="4.027565"
                              y3="-3.918161"
                              z3="-1.77337"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.980116"
                              y3="-4.131954"
                              z3="-0.229682"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.891661"
                              y3="-4.365781"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.819843"
                              y3="-3.494564"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.801143"
                              y3="5.198492"
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                        <atom elementType="H"
                              id="a81"
                              x3="-4.044265"
                              y3="4.282161"
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                        <atom elementType="H"
                              id="a82"
                              x3="0.217931"
                              y3="-2.256334"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.854468"
                              y3="-0.973053"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.370343"
                              y3="5.316545"
                              z3="-1.39384"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.646114"
                              y3="-2.176858"
                              z3="1.9841"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.080412"
                              y3="-3.209604"
                              z3="2.451866"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.075857"
                              y3="-1.224843"
                              z3="2.234373"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.379411"
                              y3="1.817475"
                              z3="-2.615917"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.057345"
                              y3="1.841853"
                              z3="0.05484"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.067205"
                              y3="-0.528624"
                              z3="-0.38027"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.94855"
                              y3="-0.146407"
                              z3="0.433758"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.91637"
                              y3="-1.008221"
                              z3="0.739644"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.034597"
                              y3="-0.575508"
                              z3="1.517016"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.101546"
                              y3="0.851154"
                              z3="1.98231"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.035477"
                              y3="0.993436"
                              z3="2.566526"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.251456"
                              y3="1.096137"
                              z3="2.657414"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.064895"
                              y3="1.817108"
                              z3="0.841936"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.551847"
                              y3="1.36893"
                              z3="0.05077"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.787338"
                              y3="3.082342"
                              z3="1.150829"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.807418"
                              y3="3.194588"
                              z3="2.254607"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.845243"
                              y3="2.993346"
                              z3="0.822924"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.771566"
                              y3="4.632176"
                              z3="1.16118"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.543645"
                              y3="5.720744"
                              z3="1.110802"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.760465"
                              y3="4.356637"
                              z3="2.237379"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.688559"
                              y3="3.879054"
                              z3="0.49295"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.590358"
                              y3="4.265463"
                              z3="-0.460459"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.374002"
                              y3="4.053645"
                              z3="1.171444"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.349178"
                              y3="3.365453"
                              z3="2.043672"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.285457"
                              y3="5.092346"
                              z3="1.55789"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.747449"
                              y3="3.768732"
                              z3="0.215414"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.875301"
                              y3="2.44754"
                              z3="-0.311899"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.030693"
                              y3="1.49717"
                              z3="0.103784"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.922225"
                              y3="2.197732"
                              z3="-1.246575"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.170146"
                              y3="0.821319"
                              z3="-1.800393"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.707207"
                              y3="0.210236"
                              z3="-1.043027"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.845901"
                              y3="0.911366"
                              z3="-2.680255"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.931991"
                              y3="0.102235"
                              z3="-2.186595"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.247824"
                              y3="0.792183"
                              z3="-2.551743"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.198175"
                              y3="-0.875712"
                              z3="-3.260998"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.984853"
                              y3="-1.573208"
                              z3="-2.901575"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.628992"
                              y3="-0.34746"
                              z3="-4.143496"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.563936"
                              y3="-2.639097"
                              z3="-2.635732"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.263131"
                              y3="-3.3670"
                              z3="-3.111085"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.270828"
                              y3="-3.237642"
                              z3="-2.212052"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.23663"
                              y3="-1.95619"
                              z3="-1.519287"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.025978"
                              y3="-1.407364"
                              z3="-1.898232"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752462"
                              y3="-2.920001"
                              z3="-0.521995"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.891818"
                              y3="-3.227443"
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                        <atom elementType="H"
                              id="a41"
                              x3="-2.107802"
                              y3="-3.844333"
                              z3="-1.03256"/>
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                              id="a42"
                              x3="-2.88646"
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                              id="a43"
                              x3="-3.934789"
                              y3="-3.23813"
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                              id="a44"
                              x3="-3.892928"
                              y3="-4.281677"
                              z3="0.310519"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.06314"
                              y3="-1.472122"
                              z3="1.854299"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.910486"
                              y3="-1.104518"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.636315"
                              y3="4.785999"
                              z3="-0.168623"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.508932"
                              y3="5.793592"
                              z3="0.259775"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.794421"
                              y3="3.240736"
                              z3="-1.612891"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.593576"
                              y3="3.023102"
                              z3="-2.340354"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.430848"
                              y3="-0.506696"
                              z3="1.006597"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.249864"
                              y3="0.02528"
                              z3="2.253922"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.406372"
                              y3="-0.604679"
                              z3="3.283352"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.794772"
                              y3="1.455955"
                              z3="2.16209"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.967632"
                              y3="1.972515"
                              z3="3.122896"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.705379"
                              y3="1.437651"
                              z3="1.947914"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.286793"
                              y3="1.993901"
                              z3="1.330873"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.145354"
                              y3="4.333414"
                              z3="0.559347"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.03508"
                              y3="-1.665902"
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                              id="a60"
                              x3="-5.02112"
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                              z3="1.441115"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.671903"
                              y3="4.532053"
                              z3="-1.080289"/>
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                              x3="1.14627"
                              y3="-1.924702"
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                              id="a63"
                              x3="2.409998"
                              y3="-2.411549"
                              z3="-0.037142"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.532446"
                              y3="-1.948651"
                              z3="0.903558"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.458833"
                              y3="-3.934077"
                              z3="-0.219674"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.598621"
                              y3="-1.938831"
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                              id="a67"
                              x3="4.908035"
                              y3="-2.361083"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.362013"
                              y3="-2.371377"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.837093"
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                              id="a70"
                              x3="1.655823"
                              y3="-4.236061"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.227159"
                              y3="-4.406108"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.965937"
                              y3="-3.884534"
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                              id="a73"
                              x3="5.103376"
                              y3="-1.842929"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.686824"
                              y3="-2.022158"
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                        <atom elementType="H"
                              id="a75"
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                              y3="-5.480581"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.997644"
                              y3="-3.964862"
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                        <atom elementType="H"
                              id="a77"
                              x3="5.956328"
                              y3="-4.176202"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.873197"
                              y3="-4.384032"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.828654"
                              y3="-3.50906"
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                              id="a80"
                              x3="-4.819768"
                              y3="5.188583"
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                        <atom elementType="H"
                              id="a81"
                              x3="-4.074969"
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                              id="a82"
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                              id="a83"
                              x3="-0.845267"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.366275"
                              y3="5.33055"
                              z3="-1.380688"/>
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                              id="a85"
                              x3="0.669136"
                              y3="-2.125969"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.080705"
                              y3="-3.16177"
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                              id="a87"
                              x3="-0.021413"
                              y3="-1.148636"
                              z3="2.241193"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.395315"
                              y3="1.802907"
                              z3="-2.604934"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.059756"
                              y3="1.839834"
                              z3="0.067759"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070252"
                              y3="-0.529079"
                              z3="-0.37914"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.951309"
                              y3="-0.151936"
                              z3="0.439743"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.922279"
                              y3="-1.013631"
                              z3="0.735218"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.042659"
                              y3="-0.584502"
                              z3="1.511535"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.10587"
                              y3="0.836575"
                              z3="1.993461"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.041841"
                              y3="0.975311"
                              z3="2.575517"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.257484"
                              y3="1.070012"
                              z3="2.674713"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.059921"
                              y3="1.817515"
                              z3="0.867086"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.556327"
                              y3="1.388871"
                              z3="0.070594"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.766359"
                              y3="3.083738"
                              z3="1.202423"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.727383"
                              y3="3.204641"
                              z3="2.304822"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.840458"
                              y3="2.990562"
                              z3="0.932313"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.772862"
                              y3="4.657108"
                              z3="1.131138"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.552338"
                              y3="5.744106"
                              z3="1.035727"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.744101"
                              y3="4.422891"
                              z3="2.21667"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.693434"
                              y3="3.88514"
                              z3="0.477648"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.59117"
                              y3="4.25419"
                              z3="-0.482216"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.380735"
                              y3="4.066292"
                              z3="1.157964"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.359216"
                              y3="3.38732"
                              z3="2.037504"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.292621"
                              y3="5.10879"
                              z3="1.533986"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.743818"
                              y3="3.77279"
                              z3="0.20884"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.872798"
                              y3="2.448703"
                              z3="-0.310985"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.027521"
                              y3="1.498861"
                              z3="0.10583"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.923273"
                              y3="2.195399"
                              z3="-1.240855"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.169945"
                              y3="0.817974"
                              z3="-1.791222"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.700437"
                              y3="0.205523"
                              z3="-1.030508"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.850516"
                              y3="0.904861"
                              z3="-2.667604"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.930771"
                              y3="0.103897"
                              z3="-2.183088"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.249208"
                              y3="0.796441"
                              z3="-2.547752"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.19811"
                              y3="-0.870992"
                              z3="-3.260043"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.984136"
                              y3="-1.569573"
                              z3="-2.901291"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.630534"
                              y3="-0.340175"
                              z3="-4.140185"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.564031"
                              y3="-2.635093"
                              z3="-2.640932"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.262807"
                              y3="-3.362185"
                              z3="-3.118066"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.270358"
                              y3="-3.234198"
                              z3="-2.217355"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.237594"
                              y3="-1.954197"
                              z3="-1.523885"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.026002"
                              y3="-1.403824"
                              z3="-1.902869"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.755305"
                              y3="-2.920257"
                              z3="-0.529836"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.896974"
                              y3="-3.22643"
                              z3="0.108318"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.106389"
                              y3="-3.844873"
                              z3="-1.042702"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.89372"
                              y3="-2.372977"
                              z3="0.293186"/>
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                              id="a43"
                              x3="-3.946743"
                              y3="-3.240568"
                              z3="0.637866"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.905405"
                              y3="-4.28162"
                              z3="0.27747"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.075893"
                              y3="-1.480496"
                              z3="1.835867"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.924755"
                              y3="-1.115074"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.635568"
                              y3="4.787531"
                              z3="-0.175713"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.506455"
                              y3="5.797149"
                              z3="0.247347"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.798622"
                              y3="3.235566"
                              z3="-1.607466"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.60034"
                              y3="3.013779"
                              z3="-2.330827"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.423693"
                              y3="-0.50879"
                              z3="1.002254"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.265288"
                              y3="0.026122"
                              z3="2.25162"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.451089"
                              y3="-0.599187"
                              z3="3.278922"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.794959"
                              y3="1.452016"
                              z3="2.163661"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.967525"
                              y3="1.969778"
                              z3="3.123817"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.705171"
                              y3="1.423208"
                              z3="1.953174"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.278858"
                              y3="1.995166"
                              z3="1.330877"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.155671"
                              y3="4.329043"
                              z3="0.567389"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.034206"
                              y3="-1.660065"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.036509"
                              y3="-2.816492"
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                        <atom elementType="C"
                              id="a61"
                              x3="2.675566"
                              y3="4.529083"
                              z3="-1.080786"/>
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                              id="a62"
                              x3="1.145622"
                              y3="-1.932468"
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                        <atom elementType="C"
                              id="a63"
                              x3="2.411811"
                              y3="-2.41944"
                              z3="-0.039165"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.531742"
                              y3="-1.950139"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.464143"
                              y3="-3.942854"
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                              id="a66"
                              x3="2.600521"
                              y3="-1.951378"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.909106"
                              y3="-2.360796"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.362295"
                              y3="-2.371522"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.844166"
                              y3="-4.383879"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.663129"
                              y3="-4.251656"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.232096"
                              y3="-4.409244"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.971101"
                              y3="-3.885143"
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                        <atom elementType="H"
                              id="a73"
                              x3="5.104243"
                              y3="-1.846871"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.68583"
                              y3="-2.016382"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.881629"
                              y3="-5.489718"
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                        <atom elementType="H"
                              id="a76"
                              x3="4.004667"
                              y3="-3.979513"
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                        <atom elementType="H"
                              id="a77"
                              x3="5.962463"
                              y3="-4.176429"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.879126"
                              y3="-4.379481"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.847933"
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                              id="a80"
                              x3="-4.834175"
                              y3="5.181317"
                              z3="0.778204"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.111543"
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                              id="a82"
                              x3="0.235197"
                              y3="-2.238852"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.844024"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.372193"
                              y3="5.325608"
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                        <atom elementType="C"
                              id="a85"
                              x3="0.67481"
                              y3="-2.112732"
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                              id="a86"
                              x3="1.073373"
                              y3="-3.149985"
                              z3="2.478014"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.002029"
                              y3="-1.123592"
                              z3="2.231126"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.413742"
                              y3="1.785453"
                              z3="-2.592277"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.064147"
                              y3="1.838763"
                              z3="0.078668"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.068885"
                              y3="-0.523335"
                              z3="-0.373641"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.94953"
                              y3="-0.154787"
                              z3="0.448833"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.922463"
                              y3="-1.017942"
                              z3="0.734404"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.045691"
                              y3="-0.593802"
                              z3="1.509546"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.106073"
                              y3="0.821716"
                              z3="2.0071"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.042536"
                              y3="0.957234"
                              z3="2.589329"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.257816"
                              y3="1.044672"
                              z3="2.69191"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.054685"
                              y3="1.81565"
                              z3="0.89325"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.56012"
                              y3="1.403853"
                              z3="0.093221"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.747307"
                              y3="3.081554"
                              z3="1.252713"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.648541"
                              y3="3.213393"
                              z3="2.350154"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.834472"
                              y3="2.981114"
                              z3="1.042897"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.784653"
                              y3="4.684516"
                              z3="1.092696"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.576448"
                              y3="5.768187"
                              z3="0.945725"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.737151"
                              y3="4.499076"
                              z3="2.186829"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.706282"
                              y3="3.893836"
                              z3="0.458813"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598557"
                              y3="4.241983"
                              z3="-0.50817"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.395993"
                              y3="4.086039"
                              z3="1.141546"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.376342"
                              y3="3.417421"
                              z3="2.029092"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.311263"
                              y3="5.132708"
                              z3="1.506419"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.733873"
                              y3="3.786044"
                              z3="0.200748"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.867948"
                              y3="2.45872"
                              z3="-0.309634"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.023491"
                              y3="1.508488"
                              z3="0.108653"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.92354"
                              y3="2.202328"
                              z3="-1.233325"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.173771"
                              y3="0.822487"
                              z3="-1.77596"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.697194"
                              y3="0.211957"
                              z3="-1.008758"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.861481"
                              y3="0.905263"
                              z3="-2.647096"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.936189"
                              y3="0.109597"
                              z3="-2.175383"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.256475"
                              y3="0.802748"
                              z3="-2.541958"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.207959"
                              y3="-0.863091"
                              z3="-3.253099"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.992991"
                              y3="-1.561881"
                              z3="-2.892752"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.643199"
                              y3="-0.330486"
                              z3="-4.130767"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.554345"
                              y3="-2.627955"
                              z3="-2.641447"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251935"
                              y3="-3.354744"
                              z3="-3.120782"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.279484"
                              y3="-3.227281"
                              z3="-2.217068"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.230602"
                              y3="-1.949196"
                              z3="-1.524645"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.018556"
                              y3="-1.398477"
                              z3="-1.904383"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.749991"
                              y3="-2.918136"
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                              id="a40"
                              x3="-0.893782"
                              y3="-3.223236"
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                              id="a41"
                              x3="-2.096595"
                              y3="-3.842805"
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                              x3="-2.893149"
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                              id="a43"
                              x3="-3.94945"
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                              id="a44"
                              x3="-3.907165"
                              y3="-4.281649"
                              z3="0.249178"/>
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                              id="a45"
                              x3="-5.082168"
                              y3="-1.490399"
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                              id="a46"
                              x3="-5.932949"
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                              id="a47"
                              x3="1.625646"
                              y3="4.80004"
                              z3="-0.186183"/>
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                              id="a48"
                              x3="1.491974"
                              y3="5.8121"
                              z3="0.229551"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.798628"
                              y3="3.241791"
                              z3="-1.60237"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.603924"
                              y3="3.016907"
                              z3="-2.320763"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.438749"
                              y3="-0.519037"
                              z3="1.002377"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.271091"
                              y3="0.017911"
                              z3="2.249876"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.442766"
                              y3="-0.607499"
                              z3="3.279485"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.809214"
                              y3="1.446191"
                              z3="2.156139"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.982607"
                              y3="1.966048"
                              z3="3.115045"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.719358"
                              y3="1.422134"
                              z3="1.944889"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.297027"
                              y3="1.984258"
                              z3="1.322392"/>
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                              id="a58"
                              x3="-4.174858"
                              y3="4.320716"
                              z3="0.571414"/>
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                              id="a59"
                              x3="-0.022622"
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                              id="a60"
                              x3="-5.043184"
                              y3="-2.823001"
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                              x3="2.670678"
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                              x3="1.15117"
                              y3="-1.928396"
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                              id="a63"
                              x3="2.414306"
                              y3="-2.424134"
                              z3="-0.037183"/>
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                              id="a64"
                              x3="3.537564"
                              y3="-1.961075"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.456485"
                              y3="-3.947959"
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                              id="a66"
                              x3="2.605515"
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                              id="a67"
                              x3="4.911796"
                              y3="-2.38064"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.366185"
                              y3="-2.380778"
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                              x3="3.83332"
                              y3="-4.398319"
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                              id="a70"
                              x3="1.652979"
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                              x3="2.221925"
                              y3="-4.411817"
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                              id="a72"
                              x3="4.964109"
                              y3="-3.90555"
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                              id="a73"
                              x3="5.10879"
                              y3="-1.868975"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.691899"
                              y3="-2.040523"
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                              id="a75"
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                              id="a76"
                              x3="3.995583"
                              y3="-3.996221"
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                              id="a77"
                              x3="5.953278"
                              y3="-4.203347"
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                              id="a78"
                              x3="4.870077"
                              y3="-4.398367"
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                              id="a79"
                              x3="-5.857221"
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                              id="a80"
                              x3="-4.860272"
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                              id="a83"
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                              id="a84"
                              x3="3.367044"
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                              id="a85"
                              x3="0.681204"
                              y3="-2.103816"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.070175"
                              y3="-3.143643"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.012542"
                              y3="-1.108792"
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                        <atom elementType="I"
                              id="a88"
                              x3="-2.429342"
                              y3="1.767878"
                              z3="-2.581309"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.065832"
                              y3="1.835145"
                              z3="0.084698"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.072691"
                              y3="-0.527657"
                              z3="-0.373327"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.949849"
                              y3="-0.161016"
                              z3="0.450218"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.92506"
                              y3="-1.023083"
                              z3="0.730751"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.046071"
                              y3="-0.599701"
                              z3="1.509565"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.096895"
                              y3="0.811126"
                              z3="2.020953"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.029929"
                              y3="0.946818"
                              z3="2.608924"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.243846"
                              y3="1.021546"
                              z3="2.70359"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.044221"
                              y3="1.816218"
                              z3="0.917859"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.565709"
                              y3="1.421994"
                              z3="0.1190"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.71459"
                              y3="3.084925"
                              z3="1.303534"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.554599"
                              y3="3.225688"
                              z3="2.392804"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.812032"
                              y3="2.982619"
                              z3="1.155874"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.783538"
                              y3="4.714203"
                              z3="1.049897"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.586143"
                              y3="5.790168"
                              z3="0.844196"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.715441"
                              y3="4.585455"
                              z3="2.150912"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.709168"
                              y3="3.899262"
                              z3="0.438336"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.593027"
                              y3="4.225851"
                              z3="-0.535129"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.401277"
                              y3="4.097733"
                              z3="1.124476"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.386832"
                              y3="3.440527"
                              z3="2.020705"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.31638"
                              y3="5.148427"
                              z3="1.477223"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.733112"
                              y3="3.787084"
                              z3="0.192925"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.867396"
                              y3="2.456714"
                              z3="-0.309623"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.02029"
                              y3="1.508433"
                              z3="0.108438"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.927084"
                              y3="2.194972"
                              z3="-1.22745"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.174978"
                              y3="0.814028"
                              z3="-1.76796"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693806"
                              y3="0.201934"
                              z3="-0.998981"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.866079"
                              y3="0.894344"
                              z3="-2.636597"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.936545"
                              y3="0.105067"
                              z3="-2.17207"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.259742"
                              y3="0.800453"
                              z3="-2.539414"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.209648"
                              y3="-0.865937"
                              z3="-3.25107"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.992852"
                              y3="-1.566402"
                              z3="-2.890065"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.647822"
                              y3="-0.331999"
                              z3="-4.126447"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.555692"
                              y3="-2.629403"
                              z3="-2.64672"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.253308"
                              y3="-3.354437"
                              z3="-3.128777"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.276397"
                              y3="-3.230662"
                              z3="-2.221415"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.23363"
                              y3="-1.951252"
                              z3="-1.530604"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.020369"
                              y3="-1.39926"
                              z3="-1.911275"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.756878"
                              y3="-2.921587"
                              z3="-0.544038"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.902381"
                              y3="-3.230343"
                              z3="0.09817"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.104665"
                              y3="-3.844219"
                              z3="-1.062703"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.900055"
                              y3="-2.377607"
                              z3="0.274001"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.960402"
                              y3="-3.24358"
                              z3="0.600101"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.921739"
                              y3="-4.280318"
                              z3="0.227206"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.086661"
                              y3="-1.493659"
                              z3="1.815144"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.935645"
                              y3="-1.13196"
                              z3="2.418166"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.629836"
                              y3="4.797143"
                              z3="-0.193278"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.49542"
                              y3="5.811439"
                              z3="0.216713"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.807118"
                              y3="3.230531"
                              z3="-1.595572"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.615439"
                              y3="3.000584"
                              z3="-2.308931"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.421153"
                              y3="-0.517939"
                              z3="1.010883"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.262418"
                              y3="0.014066"
                              z3="2.261576"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.456562"
                              y3="-0.611468"
                              z3="3.287117"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.780602"
                              y3="1.436187"
                              z3="2.175736"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.943994"
                              y3="1.952461"
                              z3="3.138284"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.692302"
                              y3="1.398892"
                              z3="1.958638"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.265079"
                              y3="1.985583"
                              z3="1.347325"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.181475"
                              y3="4.316924"
                              z3="0.578056"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.020537"
                              y3="-1.652411"
                              z3="-3.688853"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.053393"
                              y3="-2.823455"
                              z3="1.3716"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.679998"
                              y3="4.529321"
                              z3="-1.083374"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.145576"
                              y3="-1.937881"
                              z3="0.386169"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.413332"
                              y3="-2.42572"
                              z3="-0.03884"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.53084"
                              y3="-1.9587"
                              z3="0.906096"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.464486"
                              y3="-3.948561"
                              z3="-0.214939"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.604817"
                              y3="-1.955963"
                              z3="-1.030664"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.908691"
                              y3="-2.366976"
                              z3="0.3900"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.360358"
                              y3="-2.383589"
                              z3="1.915064"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.845412"
                              y3="-4.388641"
                              z3="-0.724473"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.664516"
                              y3="-4.254766"
                              z3="-0.922171"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.230363"
                              y3="-4.416673"
                              z3="0.76229"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.971506"
                              y3="-3.890871"
                              z3="0.196057"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.103122"
                              y3="-1.849897"
                              z3="-0.576233"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.684406"
                              y3="-2.023869"
                              z3="1.105299"/>
                        <atom elementType="H"
                              id="a75"
                              x3="3.883317"
                              y3="-5.494344"
                              z3="-0.817358"/>
                        <atom elementType="H"
                              id="a76"
                              x3="4.006843"
                              y3="-3.982916"
                              z3="-1.749598"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.963228"
                              y3="-4.180722"
                              z3="-0.21002"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.879507"
                              y3="-4.387492"
                              z3="1.187349"/>
                        <atom elementType="H"
                              id="a79"
                              x3="-5.870641"
                              y3="-3.518946"
                              z3="1.613064"/>
                        <atom elementType="H"
                              id="a80"
                              x3="-4.872006"
                              y3="5.159387"
                              z3="0.789298"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.197925"
                              y3="4.172041"
                              z3="-0.524755"/>
                        <atom elementType="H"
                              id="a82"
                              x3="0.253502"
                              y3="-2.228978"
                              z3="-4.596162"/>
                        <atom elementType="H"
                              id="a83"
                              x3="-0.828254"
                              y3="-0.952503"
                              z3="-4.000161"/>
                        <atom elementType="H"
                              id="a84"
                              x3="3.380227"
                              y3="5.322452"
                              z3="-1.38429"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.679666"
                              y3="-2.110942"
                              z3="1.97758"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.069664"
                              y3="-3.150043"
                              z3="2.473128"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.010595"
                              y3="-1.116177"
                              z3="2.223829"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.440858"
                              y3="1.756784"
                              z3="-2.575481"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.070677"
                              y3="1.835983"
                              z3="0.089286"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.068037"
                              y3="-0.518918"
                              z3="-0.369555"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.945928"
                              y3="-0.160272"
                              z3="0.454518"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.919739"
                              y3="-1.025114"
                              z3="0.732002"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.041512"
                              y3="-0.606743"
                              z3="1.512241"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.09299"
                              y3="0.801344"
                              z3="2.030348"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.025208"
                              y3="0.934001"
                              z3="2.620494"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.23865"
                              y3="1.009852"
                              z3="2.711899"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.043257"
                              y3="1.810588"
                              z3="0.931535"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.570122"
                              y3="1.421467"
                              z3="0.133486"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.708515"
                              y3="3.077975"
                              z3="1.327255"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.51701"
                              y3="3.227694"
                              z3="2.41029"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.809458"
                              y3="2.968504"
                              z3="1.213274"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.804096"
                              y3="4.728517"
                              z3="1.020965"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.618911"
                              y3="5.800141"
                              z3="0.783994"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.725807"
                              y3="4.63065"
                              z3="2.124348"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.726295"
                              y3="3.906812"
                              z3="0.42361"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.607307"
                              y3="4.221607"
                              z3="-0.553367"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.421296"
                              y3="4.116377"
                              z3="1.112525"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.407558"
                              y3="3.466514"
                              z3="2.014048"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.34178"
                              y3="5.170236"
                              z3="1.45685"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.718584"
                              y3="3.803881"
                              z3="0.187804"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.860304"
                              y3="2.471585"
                              z3="-0.307483"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.016402"
                              y3="1.521038"
                              z3="0.111569"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.92444"
                              y3="2.209585"
                              z3="-1.220524"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.177822"
                              y3="0.826206"
                              z3="-1.752642"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.689391"
                              y3="0.217204"
                              z3="-0.976328"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.876516"
                              y3="0.902527"
                              z3="-2.615453"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.941795"
                              y3="0.117058"
                              z3="-2.164759"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.266411"
                              y3="0.813084"
                              z3="-2.533249"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.218893"
                              y3="-0.851312"
                              z3="-3.245047"/>
                        <atom elementType="H"
                              id="a32"
                              x3="2.001185"
                              y3="-1.552391"
                              z3="-2.883303"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.659546"
                              y3="-0.315161"
                              z3="-4.117805"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.546912"
                              y3="-2.616965"
                              z3="-2.650032"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.244581"
                              y3="-3.339927"
                              z3="-3.135093"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.284724"
                              y3="-3.220225"
                              z3="-2.226851"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.224815"
                              y3="-1.943098"
                              z3="-1.53129"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.011723"
                              y3="-1.38976"
                              z3="-1.909769"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.747104"
                              y3="-2.917028"
                              z3="-0.547631"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.893098"
                              y3="-3.224824"
                              z3="0.09572"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.091641"
                              y3="-3.839415"
                              z3="-1.068852"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.892682"
                              y3="-2.377702"
                              z3="0.269898"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.952475"
                              y3="-3.246238"
                              z3="0.590866"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.912152"
                              y3="-4.28135"
                              z3="0.213643"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.081464"
                              y3="-1.503015"
                              z3="1.812949"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.931101"
                              y3="-1.145009"
                              z3="2.41728"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.612684"
                              y3="4.815482"
                              z3="-0.200996"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.472376"
                              y3="5.831467"
                              z3="0.202813"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.80149"
                              y3="3.246622"
                              z3="-1.591162"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.613115"
                              y3="3.016252"
                              z3="-2.300615"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.452994"
                              y3="-0.533745"
                              z3="1.011047"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.275527"
                              y3="0.002907"
                              z3="2.257369"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.43364"
                              y3="-0.624177"
                              z3="3.288044"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.822178"
                              y3="1.433643"
                              z3="2.159958"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.993456"
                              y3="1.953403"
                              z3="3.119317"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.73316"
                              y3="1.415008"
                              z3="1.944132"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.316529"
                              y3="1.968666"
                              z3="1.328051"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.203064"
                              y3="4.306044"
                              z3="0.575577"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.010257"
                              y3="-1.636603"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.046743"
                              y3="-2.830665"
                              z3="1.362984"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.667029"
                              y3="4.547577"
                              z3="-1.086106"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.155105"
                              y3="-1.926828"
                              z3="0.392286"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.4167"
                              y3="-2.429283"
                              z3="-0.034722"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.541035"
                              y3="-1.976228"
                              z3="0.909488"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.448945"
                              y3="-3.952777"
                              z3="-0.211471"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.613257"
                              y3="-1.960886"
                              z3="-1.02623"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.913444"
                              y3="-2.40439"
                              z3="0.394443"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.363704"
                              y3="-2.396273"
                              z3="1.91934"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.82394"
                              y3="-4.411123"
                              z3="-0.720535"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.645269"
                              y3="-4.249086"
                              z3="-0.918666"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.208545"
                              y3="-4.418045"
                              z3="0.765557"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.955549"
                              y3="-3.929046"
                              z3="0.201367"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.116263"
                              y3="-1.891427"
                              z3="-0.572213"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.694196"
                              y3="-2.07179"
                              z3="1.109214"/>
                        <atom elementType="H"
                              id="a75"
                              x3="3.846859"
                              y3="-5.517179"
                              z3="-0.814031"/>
                        <atom elementType="H"
                              id="a76"
                              x3="3.991751"
                              y3="-4.006977"
                              z3="-1.745264"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.943741"
                              y3="-4.232488"
                              z3="-0.203381"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.85541"
                              y3="-4.424162"
                              z3="1.192627"/>
                        <atom elementType="H"
                              id="a79"
                              x3="-5.863625"
                              y3="-3.528002"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.900651"
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                              z3="0.784939"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.234683"
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                              id="a82"
                              x3="0.265326"
                              y3="-2.21017"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.81748"
                              y3="-0.935684"
                              z3="-3.998342"/>
                        <atom elementType="H"
                              id="a84"
                              x3="3.364796"
                              y3="5.342217"
                              z3="-1.388761"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.68353"
                              y3="-2.102811"
                              z3="1.98022"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.066079"
                              y3="-3.144827"
                              z3="2.475353"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.018768"
                              y3="-1.105334"
                              z3="2.224522"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.452003"
                              y3="1.747295"
                              z3="-2.570724"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.067733"
                              y3="1.836384"
                              z3="0.083608"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.06993"
                              y3="-0.523452"
                              z3="-0.372334"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.947923"
                              y3="-0.159115"
                              z3="0.450559"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.92162"
                              y3="-1.022628"
                              z3="0.732212"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.042647"
                              y3="-0.600868"
                              z3="1.511629"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095519"
                              y3="0.810285"
                              z3="2.021611"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.028094"
                              y3="0.945024"
                              z3="2.610549"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.241935"
                              y3="1.023522"
                              z3="2.702714"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046651"
                              y3="1.813246"
                              z3="0.916504"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.56712"
                              y3="1.41541"
                              z3="0.118777"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.720961"
                              y3="3.080802"
                              z3="1.2990"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.565348"
                              y3="3.222694"
                              z3="2.388764"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.817573"
                              y3="2.975694"
                              z3="1.147302"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.792202"
                              y3="4.713663"
                              z3="1.047838"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.596961"
                              y3="5.790116"
                              z3="0.842705"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.725043"
                              y3="4.584455"
                              z3="2.148816"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.715472"
                              y3="3.901307"
                              z3="0.437065"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.599987"
                              y3="4.228522"
                              z3="-0.536262"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.408376"
                              y3="4.102537"
                              z3="1.123749"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.393273"
                              y3="3.445671"
                              z3="2.020148"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.325477"
                              y3="5.153602"
                              z3="1.475863"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.727156"
                              y3="3.793505"
                              z3="0.192842"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864336"
                              y3="2.463225"
                              z3="-0.308762"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019137"
                              y3="1.513553"
                              z3="0.109528"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.924882"
                              y3="2.202636"
                              z3="-1.226077"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175452"
                              y3="0.820954"
                              z3="-1.763738"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692391"
                              y3="0.21054"
                              z3="-0.992124"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.86893"
                              y3="0.900172"
                              z3="-2.630557"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938259"
                              y3="0.110898"
                              z3="-2.170102"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261406"
                              y3="0.806061"
                              z3="-2.537798"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212607"
                              y3="-0.859454"
                              z3="-3.249306"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995729"
                              y3="-1.559937"
                              z3="-2.888156"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.651201"
                              y3="-0.325021"
                              z3="-4.124173"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.552531"
                              y3="-2.624024"
                              z3="-2.647419"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.250338"
                              y3="-3.348359"
                              z3="-3.130219"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.27973"
                              y3="-3.225924"
                              z3="-2.223506"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229747"
                              y3="-1.947671"
                              z3="-1.529773"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.016747"
                              y3="-1.395127"
                              z3="-1.909048"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.751674"
                              y3="-2.919154"
                              z3="-0.543565"/>
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                              id="a40"
                              x3="-0.896805"
                              y3="-3.227114"
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                        <atom elementType="H"
                              id="a41"
                              x3="-2.098457"
                              y3="-3.841912"
                              z3="-1.062661"/>
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                              x3="-2.895145"
                              y3="-2.376957"
                              z3="0.275126"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.954006"
                              y3="-3.244475"
                              z3="0.601804"/>
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                              id="a44"
                              x3="-3.914199"
                              y3="-4.281109"
                              z3="0.228727"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.081718"
                              y3="-1.496292"
                              z3="1.818001"/>
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                              id="a46"
                              x3="-5.930834"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.621724"
                              y3="4.805106"
                              z3="-0.194494"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.48515"
                              y3="5.819546"
                              z3="0.214443"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.802624"
                              y3="3.239664"
                              z3="-1.595317"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.611588"
                              y3="3.010775"
                              z3="-2.30829"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.439512"
                              y3="-0.524705"
                              z3="1.010415"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.268309"
                              y3="0.009486"
                              z3="2.258546"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.438736"
                              y3="-0.617692"
                              z3="3.287261"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.804985"
                              y3="1.437322"
                              z3="2.16603"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.973668"
                              y3="1.955344"
                              z3="3.126766"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.716168"
                              y3="1.412267"
                              z3="1.949909"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.295773"
                              y3="1.977772"
                              z3="1.335519"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.188838"
                              y3="4.313735"
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                        <atom elementType="C"
                              id="a59"
                              x3="-0.01745"
                              y3="-1.645659"
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                              id="a60"
                              x3="-5.046927"
                              y3="-2.8260"
                              z3="1.374251"/>
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                              x3="2.672365"
                              y3="4.538736"
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                              x3="1.151074"
                              y3="-1.930605"
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                              id="a63"
                              x3="2.415332"
                              y3="-2.425872"
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                              id="a64"
                              x3="3.536978"
                              y3="-1.966499"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.456463"
                              y3="-3.949131"
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                              id="a66"
                              x3="2.609305"
                              y3="-1.95671"
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                              id="a67"
                              x3="4.911842"
                              y3="-2.38574"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.362822"
                              y3="-2.388644"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.834053"
                              y3="-4.39909"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.654313"
                              y3="-4.250129"
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                              id="a71"
                              x3="2.219237"
                              y3="-4.415845"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.96328"
                              y3="-3.910069"
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                        <atom elementType="H"
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                              x3="5.111011"
                              y3="-1.870985"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.690527"
                              y3="-2.048474"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.863761"
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                              id="a76"
                              x3="3.99883"
                              y3="-3.993997"
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                              id="a77"
                              x3="5.953054"
                              y3="-4.207351"
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                              id="a78"
                              x3="4.866864"
                              y3="-4.405964"
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                              id="a79"
                              x3="-5.863045"
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                              id="a80"
                              x3="-4.881198"
                              y3="5.155002"
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                              id="a81"
                              x3="-4.203488"
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                              id="a83"
                              x3="-0.825221"
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                        <atom elementType="H"
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                              y3="5.333195"
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                              x3="0.680925"
                              y3="-2.108255"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.069812"
                              y3="-3.148351"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.011545"
                              y3="-1.114073"
                              z3="2.225776"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.441925"
                              y3="1.757321"
                              z3="-2.576441"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066446"
                              y3="1.836729"
                              z3="0.083392"/>
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                              x3="-0.069968"
                              y3="-0.524653"
                              z3="-0.371789"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.947903"
                              y3="-0.159071"
                              z3="0.449686"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921394"
                              y3="-1.022519"
                              z3="0.732162"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.042101"
                              y3="-0.600346"
                              z3="1.511874"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095045"
                              y3="0.811151"
                              z3="2.021073"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.027888"
                              y3="0.946155"
                              z3="2.609511"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.241919"
                              y3="1.024753"
                              z3="2.702646"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.045565"
                              y3="1.813779"
                              z3="0.915668"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.565639"
                              y3="1.415699"
                              z3="0.117804"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.720137"
                              y3="3.081434"
                              z3="1.297474"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.565663"
                              y3="3.223317"
                              z3="2.387392"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.8166"
                              y3="2.976477"
                              z3="1.144606"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.790598"
                              y3="4.713603"
                              z3="1.047883"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.595016"
                              y3="5.790171"
                              z3="0.84367"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723973"
                              y3="4.583559"
                              z3="2.148792"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713821"
                              y3="3.901399"
                              z3="0.436979"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598442"
                              y3="4.228707"
                              z3="-0.536332"/>
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                              id="a19"
                              x3="-0.406702"
                              y3="4.102607"
                              z3="1.123538"/>
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                              id="a20"
                              x3="-0.391735"
                              y3="3.446493"
                              z3="2.020521"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.323439"
                              y3="5.153866"
                              z3="1.474995"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.728676"
                              y3="3.792631"
                              z3="0.192778"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865511"
                              y3="2.462124"
                              z3="-0.308371"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.020167"
                              y3="1.512678"
                              z3="0.110318"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925966"
                              y3="2.201043"
                              z3="-1.225643"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.176135"
                              y3="0.819345"
                              z3="-1.763452"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693603"
                              y3="0.208754"
                              z3="-0.992308"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.869123"
                              y3="0.898624"
                              z3="-2.630656"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938697"
                              y3="0.109485"
                              z3="-2.169363"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.262031"
                              y3="0.804877"
                              z3="-2.536994"/>
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                              id="a31"
                              x3="1.212604"
                              y3="-0.860915"
                              z3="-3.24866"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995252"
                              y3="-1.561951"
                              z3="-2.887537"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.651673"
                              y3="-0.326569"
                              z3="-4.123332"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553607"
                              y3="-2.624785"
                              z3="-2.647613"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.252141"
                              y3="-3.348222"
                              z3="-3.130699"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.278207"
                              y3="-3.227688"
                              z3="-2.224229"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.230014"
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                              z3="-1.529482"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.016904"
                              y3="-1.395412"
                              z3="-1.908305"/>
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                              id="a39"
                              x3="-1.752022"
                              y3="-2.919802"
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                              id="a40"
                              x3="-0.897031"
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                              id="a41"
                              x3="-2.09944"
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                              x3="-3.953546"
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                              id="a44"
                              x3="-3.913824"
                              y3="-4.281474"
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                              id="a45"
                              x3="-5.080892"
                              y3="-1.495735"
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                              id="a46"
                              x3="-5.929773"
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                              id="a47"
                              x3="1.623533"
                              y3="4.803879"
                              z3="-0.194831"/>
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                              id="a48"
                              x3="1.487206"
                              y3="5.818465"
                              z3="0.213822"/>
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                              id="a49"
                              x3="2.803991"
                              y3="3.237738"
                              z3="-1.595145"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612882"
                              y3="3.008428"
                              z3="-2.308066"/>
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                              id="a51"
                              x3="3.438087"
                              y3="-0.523612"
                              z3="1.011784"/>
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                              id="a52"
                              x3="3.263615"
                              y3="0.009041"
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                              id="a53"
                              x3="3.434722"
                              y3="-0.618518"
                              z3="3.288477"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.795829"
                              y3="1.435457"
                              z3="2.168139"/>
                        <atom elementType="H"
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                              x3="2.960188"
                              y3="1.952916"
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                        <atom elementType="H"
                              id="a56"
                              x3="1.707761"
                              y3="1.40699"
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                        <atom elementType="H"
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                              x3="3.287329"
                              y3="1.978314"
                              z3="1.339635"/>
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                              x3="-4.187066"
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                              x3="-0.017885"
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                              x3="-5.046108"
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                              x3="2.674147"
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                              x3="1.151075"
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                              x3="2.415034"
                              y3="-2.424914"
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                              x3="3.536983"
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                              id="a65"
                              x3="2.45728"
                              y3="-3.947951"
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                              x3="2.607789"
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                              x3="4.911692"
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                              id="a68"
                              x3="3.364137"
                              y3="-2.388427"
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                              x3="3.834767"
                              y3="-4.395772"
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                              id="a70"
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                              x3="2.221939"
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                              x3="4.964692"
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                              x3="5.108929"
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                              id="a74"
                              x3="5.690597"
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                              id="a75"
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                              id="a76"
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                              y3="-3.989472"
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                              id="a77"
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                              id="a78"
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                              y3="-4.403522"
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                              id="a79"
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                              x3="0.680163"
                              y3="-2.110749"
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                              x3="1.072295"
                              y3="-3.149727"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.007012"
                              y3="-1.119105"
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                        <atom elementType="I"
                              id="a88"
                              x3="-2.439569"
                              y3="1.758136"
                              z3="-2.576737"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066847"
                              y3="1.836496"
                              z3="0.083087"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070092"
                              y3="-0.524398"
                              z3="-0.372067"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948036"
                              y3="-0.159125"
                              z3="0.450077"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921513"
                              y3="-1.022605"
                              z3="0.732521"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.042483"
                              y3="-0.60043"
                              z3="1.511838"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095853"
                              y3="0.811234"
                              z3="2.020556"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.02888"
                              y3="0.946282"
                              z3="2.608691"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.242939"
                              y3="1.025196"
                              z3="2.702277"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046294"
                              y3="1.813431"
                              z3="0.914741"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.565839"
                              y3="1.414746"
                              z3="0.116843"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.72145"
                              y3="3.08113"
                              z3="1.295502"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.568859"
                              y3="3.222929"
                              z3="2.385694"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.817644"
                              y3="2.976267"
                              z3="1.140714"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.790991"
                              y3="4.71277"
                              z3="1.048349"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.595108"
                              y3="5.789493"
                              z3="0.845231"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.725089"
                              y3="4.58174"
                              z3="2.149185"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.714004"
                              y3="3.900944"
                              z3="0.437361"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598468"
                              y3="4.228658"
                              z3="-0.535796"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.40702"
                              y3="4.101914"
                              z3="1.124224"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.392155"
                              y3="3.445359"
                              z3="2.02087"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.323869"
                              y3="5.153018"
                              z3="1.476188"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.728546"
                              y3="3.792372"
                              z3="0.193517"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865293"
                              y3="2.462093"
                              z3="-0.308271"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019728"
                              y3="1.512647"
                              z3="0.109906"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925811"
                              y3="2.201252"
                              z3="-1.225513"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.17589"
                              y3="0.819774"
                              z3="-1.763958"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693723"
                              y3="0.208974"
                              z3="-0.993215"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.868536"
                              y3="0.899481"
                              z3="-2.631398"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938394"
                              y3="0.109894"
                              z3="-2.169658"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261562"
                              y3="0.8053"
                              z3="-2.536968"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212053"
                              y3="-0.860226"
                              z3="-3.249277"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995194"
                              y3="-1.560994"
                              z3="-2.888684"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650406"
                              y3="-0.325595"
                              z3="-4.124131"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553413"
                              y3="-2.624592"
                              z3="-2.647257"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251576"
                              y3="-3.348555"
                              z3="-3.130086"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.27877"
                              y3="-3.226896"
                              z3="-2.223747"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.230122"
                              y3="-1.948311"
                              z3="-1.529248"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.017201"
                              y3="-1.395645"
                              z3="-1.908167"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.751762"
                              y3="-2.919694"
                              z3="-0.542814"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.896589"
                              y3="-3.227786"
                              z3="0.098843"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.098927"
                              y3="-3.842421"
                              z3="-1.061701"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.894851"
                              y3="-2.377263"
                              z3="0.276369"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.953307"
                              y3="-3.24485"
                              z3="0.604209"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.913392"
                              y3="-4.281754"
                              z3="0.231897"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.081153"
                              y3="-1.495954"
                              z3="1.819294"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.930249"
                              y3="-1.13525"
                              z3="2.422763"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.623699"
                              y3="4.803638"
                              z3="-0.193336"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.487509"
                              y3="5.818044"
                              z3="0.21581"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.804121"
                              y3="3.237979"
                              z3="-1.59427"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.61311"
                              y3="3.008907"
                              z3="-2.307157"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.438662"
                              y3="-0.523527"
                              z3="1.011116"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.265746"
                              y3="0.009406"
                              z3="2.259531"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.436705"
                              y3="-0.618314"
                              z3="3.287825"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.799865"
                              y3="1.436421"
                              z3="2.167855"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.966155"
                              y3="1.953798"
                              z3="3.129351"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.711469"
                              y3="1.409414"
                              z3="1.949917"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.29095"
                              y3="1.97846"
                              z3="1.338568"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.187176"
                              y3="4.31406"
                              z3="0.572596"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.018352"
                              y3="-1.646041"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.046036"
                              y3="-2.82605"
                              z3="1.376753"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.674453"
                              y3="4.536954"
                              z3="-1.083089"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.150779"
                              y3="-1.929898"
                              z3="0.392233"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.414655"
                              y3="-2.42488"
                              z3="-0.035903"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.536967"
                              y3="-1.965185"
                              z3="0.907235"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.456521"
                              y3="-3.948032"
                              z3="-0.213069"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.607352"
                              y3="-1.955418"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.911448"
                              y3="-2.382749"
                              z3="0.38938"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.364355"
                              y3="-2.38812"
                              z3="1.916692"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.833775"
                              y3="-4.396527"
                              z3="-0.724983"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.653626"
                              y3="-4.249458"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.22121"
                              y3="-4.415278"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.964056"
                              y3="-3.906895"
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                        <atom elementType="H"
                              id="a73"
                              x3="5.108595"
                              y3="-1.866826"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.690677"
                              y3="-2.045166"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.864365"
                              y3="-5.502359"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.99657"
                              y3="-3.990879"
                              z3="-1.749936"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.953434"
                              y3="-4.202967"
                              z3="-0.212652"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.869755"
                              y3="-4.403495"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.861841"
                              y3="-3.522749"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.879343"
                              y3="5.155669"
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                        <atom elementType="H"
                              id="a81"
                              x3="-4.200093"
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                              id="a82"
                              x3="0.255181"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.82606"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.37332"
                              y3="5.331127"
                              z3="-1.384438"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.680808"
                              y3="-2.109361"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.072445"
                              y3="-3.148507"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.008668"
                              y3="-1.117023"
                              z3="2.228107"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.440036"
                              y3="1.757941"
                              z3="-2.576987"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066843"
                              y3="1.836014"
                              z3="0.085691"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.068891"
                              y3="-0.523456"
                              z3="-0.371482"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.946288"
                              y3="-0.16005"
                              z3="0.452553"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.920772"
                              y3="-1.023307"
                              z3="0.732224"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.041601"
                              y3="-0.601937"
                              z3="1.512241"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.093005"
                              y3="0.808338"
                              z3="2.024776"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.025056"
                              y3="0.942913"
                              z3="2.614601"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.238765"
                              y3="1.019725"
                              z3="2.705607"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.044009"
                              y3="1.813075"
                              z3="0.921369"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566514"
                              y3="1.417656"
                              z3="0.123718"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.715716"
                              y3="3.080686"
                              z3="1.307514"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.551299"
                              y3="3.224132"
                              z3="2.395795"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.813512"
                              y3="2.97471"
                              z3="1.164921"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.792374"
                              y3="4.717493"
                              z3="1.042397"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.59931"
                              y3="5.792806"
                              z3="0.829454"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.7220"
                              y3="4.595853"
                              z3="2.144009"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.715931"
                              y3="3.902512"
                              z3="0.434295"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.600258"
                              y3="4.226482"
                              z3="-0.540088"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.408953"
                              y3="4.105961"
                              z3="1.12057"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.393884"
                              y3="3.451845"
                              z3="2.019017"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.326346"
                              y3="5.157974"
                              z3="1.469862"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.726915"
                              y3="3.795119"
                              z3="0.190759"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864799"
                              y3="2.464121"
                              z3="-0.308767"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019924"
                              y3="1.514398"
                              z3="0.110187"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925908"
                              y3="2.202855"
                              z3="-1.225326"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.176774"
                              y3="0.820807"
                              z3="-1.761777"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692866"
                              y3="0.2104"
                              z3="-0.989574"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.871097"
                              y3="0.899384"
                              z3="-2.627978"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.93964"
                              y3="0.111134"
                              z3="-2.168991"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.263276"
                              y3="0.806489"
                              z3="-2.537133"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.214547"
                              y3="-0.859402"
                              z3="-3.247864"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.996851"
                              y3="-1.560382"
                              z3="-2.885932"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.654416"
                              y3="-0.325181"
                              z3="-4.122228"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.551917"
                              y3="-2.623292"
                              z3="-2.648249"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.250174"
                              y3="-3.346699"
                              z3="-3.131798"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.27964"
                              y3="-3.226282"
                              z3="-2.224486"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.228956"
                              y3="-1.947079"
                              z3="-1.530425"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.015596"
                              y3="-1.393975"
                              z3="-1.9097"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.751519"
                              y3="-2.91901"
                              z3="-0.545062"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.896983"
                              y3="-3.227323"
                              z3="0.097327"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.098144"
                              y3="-3.841497"
                              z3="-1.064731"/>
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                              id="a42"
                              x3="-2.895263"
                              y3="-2.377026"
                              z3="0.273287"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.955198"
                              y3="-3.244021"
                              z3="0.597919"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.916118"
                              y3="-4.2801"
                              z3="0.223241"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.081754"
                              y3="-1.49681"
                              z3="1.816549"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.930676"
                              y3="-1.136573"
                              z3="2.420535"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.621244"
                              y3="4.806532"
                              z3="-0.19775"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.483952"
                              y3="5.821502"
                              z3="0.209626"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803385"
                              y3="3.239678"
                              z3="-1.595698"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612672"
                              y3="3.010061"
                              z3="-2.308068"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.436242"
                              y3="-0.526075"
                              z3="1.01066"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.265842"
                              y3="0.007939"
                              z3="2.259002"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.442402"
                              y3="-0.618002"
                              z3="3.287416"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.794454"
                              y3="1.433152"
                              z3="2.166578"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.960193"
                              y3="1.952366"
                              z3="3.127169"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.705903"
                              y3="1.401547"
                              z3="1.949806"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.282479"
                              y3="1.976009"
                              z3="1.336027"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.189973"
                              y3="4.312525"
                              z3="0.576513"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.01556"
                              y3="-1.64471"
                              z3="-3.688213"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.048171"
                              y3="-2.825726"
                              z3="1.370384"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.672416"
                              y3="4.539423"
                              z3="-1.086837"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.150142"
                              y3="-1.932941"
                              z3="0.39004"/>
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                              id="a63"
                              x3="2.414644"
                              y3="-2.427848"
                              z3="-0.036721"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.535628"
                              y3="-1.967729"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.456825"
                              y3="-3.950996"
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                        <atom elementType="H"
                              id="a66"
                              x3="2.608256"
                              y3="-1.958515"
                              z3="-1.028366"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.910897"
                              y3="-2.385598"
                              z3="0.39219"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.361632"
                              y3="-2.390146"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.834829"
                              y3="-4.399584"
                              z3="-0.723299"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.65491"
                              y3="-4.252626"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.220091"
                              y3="-4.418034"
                              z3="0.763641"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.963686"
                              y3="-3.909819"
                              z3="0.198062"/>
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                              id="a73"
                              x3="5.109433"
                              y3="-1.870276"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.688863"
                              y3="-2.047729"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.865531"
                              y3="-5.505429"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.99915"
                              y3="-3.993965"
                              z3="-1.748001"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.953717"
                              y3="-4.206117"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.867826"
                              y3="-4.406278"
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                              id="a79"
                              x3="-5.865136"
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                              id="a80"
                              x3="-4.883239"
                              y3="5.152951"
                              z3="0.786909"/>
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                              id="a81"
                              x3="-4.209408"
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                              id="a82"
                              x3="0.258769"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.822705"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.370545"
                              y3="5.333761"
                              z3="-1.389455"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.682502"
                              y3="-2.105936"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.068406"
                              y3="-3.146427"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.017002"
                              y3="-1.108861"
                              z3="2.226616"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.443301"
                              y3="1.754293"
                              z3="-2.574134"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.067739"
                              y3="1.835521"
                              z3="0.085158"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070641"
                              y3="-0.524721"
                              z3="-0.371136"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948378"
                              y3="-0.160585"
                              z3="0.451677"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.922724"
                              y3="-1.023812"
                              z3="0.731861"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.044237"
                              y3="-0.602002"
                              z3="1.510547"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.096004"
                              y3="0.808401"
                              z3="2.022738"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.028751"
                              y3="0.943255"
                              z3="2.611432"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.242461"
                              y3="1.019469"
                              z3="2.704562"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.045382"
                              y3="1.813321"
                              z3="0.919582"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.567548"
                              y3="1.418614"
                              z3="0.121352"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.716226"
                              y3="3.081396"
                              z3="1.305627"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.551484"
                              y3="3.224967"
                              z3="2.393851"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.814143"
                              y3="2.976144"
                              z3="1.163381"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.792262"
                              y3="4.717489"
                              z3="1.040875"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.598655"
                              y3="5.792601"
                              z3="0.827419"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.722675"
                              y3="4.596429"
                              z3="2.142598"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.715767"
                              y3="3.901703"
                              z3="0.433971"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598861"
                              y3="4.225501"
                              z3="-0.540319"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.409321"
                              y3="4.104126"
                              z3="1.121532"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.395403"
                              y3="3.449434"
                              z3="2.019534"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.32646"
                              y3="5.155925"
                              z3="1.471433"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.727219"
                              y3="3.793131"
                              z3="0.19255"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864361"
                              y3="2.462372"
                              z3="-0.307892"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.018528"
                              y3="1.513065"
                              z3="0.11023"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925739"
                              y3="2.200868"
                              z3="-1.223999"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175795"
                              y3="0.819237"
                              z3="-1.761951"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692841"
                              y3="0.2083"
                              z3="-0.990797"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.869156"
                              y3="0.898624"
                              z3="-2.628854"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938338"
                              y3="0.109825"
                              z3="-2.168534"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261771"
                              y3="0.80549"
                              z3="-2.535769"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212316"
                              y3="-0.859717"
                              z3="-3.248575"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995416"
                              y3="-1.560595"
                              z3="-2.888114"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.65085"
                              y3="-0.324656"
                              z3="-4.123082"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.552973"
                              y3="-2.624353"
                              z3="-2.647523"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.25104"
                              y3="-3.348211"
                              z3="-3.130655"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.279204"
                              y3="-3.226713"
                              z3="-2.224089"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229897"
                              y3="-1.948417"
                              z3="-1.529454"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.016827"
                              y3="-1.395549"
                              z3="-1.908434"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752041"
                              y3="-2.920005"
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                        <atom elementType="H"
                              id="a40"
                              x3="-0.897615"
                              y3="-3.227249"
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                        <atom elementType="H"
                              id="a41"
                              x3="-2.097899"
                              y3="-3.843099"
                              z3="-1.062515"/>
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                              x3="-2.896482"
                              y3="-2.377859"
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                        <atom elementType="C"
                              id="a43"
                              x3="-3.956412"
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                        <atom elementType="H"
                              id="a44"
                              x3="-3.916803"
                              y3="-4.281259"
                              z3="0.224624"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.084387"
                              y3="-1.496903"
                              z3="1.814737"/>
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                              id="a46"
                              x3="-5.933898"
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                              id="a47"
                              x3="1.623025"
                              y3="4.803931"
                              z3="-0.194068"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.486434"
                              y3="5.818685"
                              z3="0.214083"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.804693"
                              y3="3.23713"
                              z3="-1.592503"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.614332"
                              y3="3.007381"
                              z3="-2.304432"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.439845"
                              y3="-0.523827"
                              z3="1.011032"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.26746"
                              y3="0.009193"
                              z3="2.25953"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.438428"
                              y3="-0.618584"
                              z3="3.287774"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.802195"
                              y3="1.436387"
                              z3="2.16795"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.967618"
                              y3="1.953249"
                              z3="3.129875"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.714058"
                              y3="1.409867"
                              z3="1.94877"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.294518"
                              y3="1.978642"
                              z3="1.339513"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.189725"
                              y3="4.312776"
                              z3="0.574355"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.01788"
                              y3="-1.645462"
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                              id="a60"
                              x3="-5.05012"
                              y3="-2.826207"
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                              id="a61"
                              x3="2.674811"
                              y3="4.536458"
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                              id="a62"
                              x3="1.151483"
                              y3="-1.930157"
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                              id="a63"
                              x3="2.415376"
                              y3="-2.425367"
                              z3="-0.035652"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.537998"
                              y3="-1.965462"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.456994"
                              y3="-3.948639"
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                              id="a66"
                              x3="2.608106"
                              y3="-1.956507"
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                              id="a67"
                              x3="4.912234"
                              y3="-2.383245"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.365819"
                              y3="-2.388272"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.833994"
                              y3="-4.397674"
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                              id="a70"
                              x3="1.653814"
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                              id="a71"
                              x3="2.221872"
                              y3="-4.415209"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.96473"
                              y3="-3.907497"
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                              id="a73"
                              x3="5.108851"
                              y3="-1.867801"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.691948"
                              y3="-2.045408"
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                              id="a75"
                              x3="3.864442"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.996368"
                              y3="-3.992766"
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                              id="a77"
                              x3="5.953893"
                              y3="-4.203788"
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                              id="a78"
                              x3="4.870983"
                              y3="-4.403558"
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                              id="a79"
                              x3="-5.867137"
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                              id="a80"
                              x3="-4.882837"
                              y3="5.153522"
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                              id="a81"
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                              id="a83"
                              x3="-0.825624"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.37418"
                              y3="5.330287"
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                              x3="0.682838"
                              y3="-2.107086"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.07396"
                              y3="-3.145925"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.011883"
                              y3="-1.113732"
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                        <atom elementType="I"
                              id="a88"
                              x3="-2.443314"
                              y3="1.754665"
                              z3="-2.574958"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066986"
                              y3="1.837097"
                              z3="0.082956"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.069808"
                              y3="-0.524488"
                              z3="-0.369701"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.94852"
                              y3="-0.158163"
                              z3="0.450253"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921763"
                              y3="-1.021727"
                              z3="0.733324"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.04378"
                              y3="-0.599007"
                              z3="1.510804"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.09832"
                              y3="0.81309"
                              z3="2.018126"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.032153"
                              y3="0.94824"
                              z3="2.604959"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.246395"
                              y3="1.027958"
                              z3="2.700814"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.047681"
                              y3="1.814429"
                              z3="0.911626"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566368"
                              y3="1.415215"
                              z3="0.113444"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.723171"
                              y3="3.08245"
                              z3="1.290833"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.573232"
                              y3="3.224037"
                              z3="2.381426"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.819005"
                              y3="2.978114"
                              z3="1.133288"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.791116"
                              y3="4.713058"
                              z3="1.048062"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.594374"
                              y3="5.789821"
                              z3="0.8460"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.727103"
                              y3="4.581189"
                              z3="2.148914"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713585"
                              y3="3.901154"
                              z3="0.438151"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.596969"
                              y3="4.229049"
                              z3="-0.534817"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.407026"
                              y3="4.101607"
                              z3="1.126132"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.392729"
                              y3="3.444656"
                              z3="2.022528"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.323949"
                              y3="5.152552"
                              z3="1.478573"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.728828"
                              y3="3.792276"
                              z3="0.195723"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865413"
                              y3="2.462226"
                              z3="-0.306614"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019902"
                              y3="1.512672"
                              z3="0.111424"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925574"
                              y3="2.201712"
                              z3="-1.224347"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175847"
                              y3="0.820326"
                              z3="-1.762973"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.694518"
                              y3="0.209935"
                              z3="-0.992461"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.867998"
                              y3="0.900354"
                              z3="-2.630788"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938567"
                              y3="0.109711"
                              z3="-2.167963"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261365"
                              y3="0.804681"
                              z3="-2.535482"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212551"
                              y3="-0.861026"
                              z3="-3.246961"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.996972"
                              y3="-1.560423"
                              z3="-2.886522"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.649428"
                              y3="-0.326498"
                              z3="-4.122631"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.55077"
                              y3="-2.626985"
                              z3="-2.642522"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.248019"
                              y3="-3.352446"
                              z3="-3.124411"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.282197"
                              y3="-3.227658"
                              z3="-2.21824"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.22827"
                              y3="-1.950003"
                              z3="-1.525453"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.015544"
                              y3="-1.398238"
                              z3="-1.905227"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.749627"
                              y3="-2.920146"
                              z3="-0.537673"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.894736"
                              y3="-3.226275"
                              z3="0.105287"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.095392"
                              y3="-3.844209"
                              z3="-1.055095"/>
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                              id="a42"
                              x3="-2.893918"
                              y3="-2.377122"
                              z3="0.279383"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.952344"
                              y3="-3.244727"
                              z3="0.607192"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.911453"
                              y3="-4.282171"
                              z3="0.236501"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.082392"
                              y3="-1.494594"
                              z3="1.818345"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.932325"
                              y3="-1.133404"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.624033"
                              y3="4.803632"
                              z3="-0.19078"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.488004"
                              y3="5.817867"
                              z3="0.218839"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803942"
                              y3="3.238517"
                              z3="-1.592765"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612735"
                              y3="3.009712"
                              z3="-2.30596"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.44463"
                              y3="-0.523436"
                              z3="1.011059"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.266115"
                              y3="0.009029"
                              z3="2.258719"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.434965"
                              y3="-0.618163"
                              z3="3.28771"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.79676"
                              y3="1.434969"
                              z3="2.165354"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.962016"
                              y3="1.954165"
                              z3="3.126045"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.708258"
                              y3="1.404986"
                              z3="1.947958"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.285904"
                              y3="1.977044"
                              z3="1.335016"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.18665"
                              y3="4.315334"
                              z3="0.569509"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.017066"
                              y3="-1.648853"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.046218"
                              y3="-2.825288"
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                        <atom elementType="C"
                              id="a61"
                              x3="2.67458"
                              y3="4.537241"
                              z3="-1.080877"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.154621"
                              y3="-1.924608"
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                        <atom elementType="C"
                              id="a63"
                              x3="2.416029"
                              y3="-2.421849"
                              z3="-0.035364"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.540552"
                              y3="-1.965333"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.455321"
                              y3="-3.944676"
                              z3="-0.216006"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.60764"
                              y3="-1.950882"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.913574"
                              y3="-2.384334"
                              z3="0.386245"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.368031"
                              y3="-2.388766"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.831181"
                              y3="-4.393847"
                              z3="-0.731128"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.65085"
                              y3="-4.243419"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.221255"
                              y3="-4.413945"
                              z3="0.760588"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.963383"
                              y3="-3.908169"
                              z3="0.188365"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.110234"
                              y3="-1.867089"
                              z3="-0.579449"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.693995"
                              y3="-2.049031"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.859974"
                              y3="-5.499507"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.993307"
                              y3="-3.985993"
                              z3="-1.755317"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.95183"
                              y3="-4.205052"
                              z3="-0.22062"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.869281"
                              y3="-4.406841"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.862023"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.878766"
                              y3="5.157257"
                              z3="0.777696"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.197399"
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                              id="a82"
                              x3="0.256912"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.825688"
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                              z3="-3.99469"/>
                        <atom elementType="H"
                              id="a84"
                              x3="3.37349"
                              y3="5.33147"
                              z3="-1.381975"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.680074"
                              y3="-2.114089"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.07786"
                              y3="-3.152073"
                              z3="2.476899"/>
                        <atom elementType="O"
                              id="a87"
                              x3="-0.000548"
                              y3="-1.127926"
                              z3="2.231945"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.437315"
                              y3="1.758629"
                              z3="-2.577622"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.065986"
                              y3="1.837469"
                              z3="0.080497"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070976"
                              y3="-0.524899"
                              z3="-0.374248"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948484"
                              y3="-0.157939"
                              z3="0.447719"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921007"
                              y3="-1.021628"
                              z3="0.732768"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.041169"
                              y3="-0.598885"
                              z3="1.51297"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095884"
                              y3="0.814157"
                              z3="2.01801"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.029099"
                              y3="0.949597"
                              z3="2.605677"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.243469"
                              y3="1.030939"
                              z3="2.699482"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.047384"
                              y3="1.813582"
                              z3="0.909434"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.563955"
                              y3="1.410702"
                              z3="0.11178"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.727154"
                              y3="3.080851"
                              z3="1.284498"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.587933"
                              y3="3.220581"
                              z3="2.376713"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.821311"
                              y3="2.976581"
                              z3="1.115962"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.789365"
                              y3="4.707076"
                              z3="1.057006"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.590915"
                              y3="5.785555"
                              z3="0.86592"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.727425"
                              y3="4.564423"
                              z3="2.156654"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.711975"
                              y3="3.899872"
                              z3="0.44101"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.5980"
                              y3="4.232271"
                              z3="-0.530752"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.404457"
                              y3="4.098796"
                              z3="1.127142"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.389027"
                              y3="3.440162"
                              z3="2.022229"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.32067"
                              y3="5.149075"
                              z3="1.481478"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.730008"
                              y3="3.790506"
                              z3="0.194587"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865898"
                              y3="2.460705"
                              z3="-0.308765"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.020355"
                              y3="1.511291"
                              z3="0.109465"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925427"
                              y3="2.200228"
                              z3="-1.227177"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175025"
                              y3="0.818831"
                              z3="-1.766159"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692977"
                              y3="0.207881"
                              z3="-0.995595"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.867489"
                              y3="0.898481"
                              z3="-2.633747"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.937358"
                              y3="0.109056"
                              z3="-2.171655"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.260845"
                              y3="0.804393"
                              z3="-2.539712"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.210764"
                              y3="-0.862353"
                              z3="-3.250184"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.992706"
                              y3="-1.563827"
                              z3="-2.888387"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650476"
                              y3="-0.329044"
                              z3="-4.125154"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.556602"
                              y3="-2.625147"
                              z3="-2.64875"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.25597"
                              y3="-3.347897"
                              z3="-3.131625"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.274933"
                              y3="-3.228865"
                              z3="-2.226008"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.231834"
                              y3="-1.94856"
                              z3="-1.529995"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.01913"
                              y3="-1.395634"
                              z3="-1.908056"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752679"
                              y3="-2.919774"
                              z3="-0.54298"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.896626"
                              y3="-3.228825"
                              z3="0.097066"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.101402"
                              y3="-3.842064"
                              z3="-1.061588"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.894126"
                              y3="-2.376912"
                              z3="0.278396"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.951088"
                              y3="-3.244933"
                              z3="0.609913"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.911085"
                              y3="-4.28239"
                              z3="0.239158"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.078327"
                              y3="-1.494927"
                              z3="1.824037"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.926819"
                              y3="-1.133916"
                              z3="2.428167"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.624852"
                              y3="4.801956"
                              z3="-0.192419"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.489468"
                              y3="5.816019"
                              z3="0.217843"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803446"
                              y3="3.237153"
                              z3="-1.596087"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.611704"
                              y3="3.008566"
                              z3="-2.309959"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.440513"
                              y3="-0.52162"
                              z3="1.012676"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.262043"
                              y3="0.010319"
                              z3="2.260731"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.423763"
                              y3="-0.619355"
                              z3="3.289331"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.802773"
                              y3="1.439377"
                              z3="2.168599"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.970118"
                              y3="1.955772"
                              z3="3.130461"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.714462"
                              y3="1.417083"
                              z3="1.950007"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.29683"
                              y3="1.979575"
                              z3="1.339892"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.184206"
                              y3="4.315479"
                              z3="0.571076"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.020457"
                              y3="-1.646854"
                              z3="-3.689139"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.042572"
                              y3="-2.825854"
                              z3="1.384066"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.674456"
                              y3="4.535761"
                              z3="-1.083723"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.15134"
                              y3="-1.927348"
                              z3="0.392817"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.415283"
                              y3="-2.422296"
                              z3="-0.035339"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.537558"
                              y3="-1.963341"
                              z3="0.908334"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.457146"
                              y3="-3.945353"
                              z3="-0.21369"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.608367"
                              y3="-1.952174"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.912162"
                              y3="-2.380983"
                              z3="0.390803"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.364449"
                              y3="-2.386408"
                              z3="1.917615"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.834449"
                              y3="-4.393419"
                              z3="-0.725771"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.654455"
                              y3="-4.246254"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.221619"
                              y3="-4.413444"
                              z3="0.763146"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.964465"
                              y3="-3.904943"
                              z3="0.194705"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.110012"
                              y3="-1.864229"
                              z3="-0.574923"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.691353"
                              y3="-2.044463"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.864964"
                              y3="-5.499141"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.997567"
                              y3="-3.986566"
                              z3="-1.750198"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.953924"
                              y3="-4.200892"
                              z3="-0.212497"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.86966"
                              y3="-4.402438"
                              z3="1.185292"/>
                        <atom elementType="H"
                              id="a79"
                              x3="-5.857152"
                              y3="-3.522951"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.875134"
                              y3="5.158132"
                              z3="0.780259"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.190667"
                              y3="4.176503"
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                        <atom elementType="H"
                              id="a82"
                              x3="0.252535"
                              y3="-2.222116"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.827374"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.373101"
                              y3="5.330061"
                              z3="-1.385256"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.678243"
                              y3="-2.113374"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.07316"
                              y3="-3.152371"
                              z3="2.473785"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.001993"
                              y3="-1.124348"
                              z3="2.228874"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.437597"
                              y3="1.761504"
                              z3="-2.579341"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066201"
                              y3="1.836687"
                              z3="0.082874"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.069812"
                              y3="-0.524468"
                              z3="-0.372349"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.947769"
                              y3="-0.158899"
                              z3="0.449889"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921281"
                              y3="-1.022249"
                              z3="0.732637"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.042008"
                              y3="-0.599899"
                              z3="1.512179"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095081"
                              y3="0.811877"
                              z3="2.020555"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.027782"
                              y3="0.947138"
                              z3="2.609134"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.241735"
                              y3="1.025831"
                              z3="2.701744"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046102"
                              y3="1.813622"
                              z3="0.914238"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.565044"
                              y3="1.413975"
                              z3="0.116446"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.72247"
                              y3="3.081097"
                              z3="1.293852"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.573195"
                              y3="3.222262"
                              z3="2.384584"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.818171"
                              y3="2.976318"
                              z3="1.13568"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.790114"
                              y3="4.711236"
                              z3="1.051372"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.593544"
                              y3="5.788438"
                              z3="0.851436"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.724799"
                              y3="4.57694"
                              z3="2.151857"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713291"
                              y3="3.900714"
                              z3="0.438499"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598712"
                              y3="4.229704"
                              z3="-0.534341"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.405886"
                              y3="4.10137"
                              z3="1.124622"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.390698"
                              y3="3.444453"
                              z3="2.020991"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.322535"
                              y3="5.152351"
                              z3="1.476935"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.729103"
                              y3="3.792124"
                              z3="0.193141"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865757"
                              y3="2.461893"
                              z3="-0.30876"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.020402"
                              y3="1.512414"
                              z3="0.109725"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925926"
                              y3="2.201158"
                              z3="-1.226423"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.176034"
                              y3="0.819645"
                              z3="-1.76475"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693972"
                              y3="0.208976"
                              z3="-0.993982"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.868567"
                              y3="0.899275"
                              z3="-2.632291"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938531"
                              y3="0.109633"
                              z3="-2.170168"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261689"
                              y3="0.804926"
                              z3="-2.537678"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212192"
                              y3="-0.860906"
                              z3="-3.249392"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995139"
                              y3="-1.561693"
                              z3="-2.888426"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650797"
                              y3="-0.326668"
                              z3="-4.124364"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553576"
                              y3="-2.624939"
                              z3="-2.647168"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251782"
                              y3="-3.3489"
                              z3="-3.129944"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.278486"
                              y3="-3.227266"
                              z3="-2.223448"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.230296"
                              y3="-1.948373"
                              z3="-1.529347"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.017285"
                              y3="-1.395698"
                              z3="-1.908421"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752067"
                              y3="-2.919576"
                              z3="-0.542798"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.8969"
                              y3="-3.227791"
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                        <atom elementType="H"
                              id="a41"
                              x3="-2.099493"
                              y3="-3.84225"
                              z3="-1.061614"/>
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                              id="a42"
                              x3="-2.894919"
                              y3="-2.376909"
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                        <atom elementType="C"
                              id="a43"
                              x3="-3.953415"
                              y3="-3.244329"
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                        <atom elementType="H"
                              id="a44"
                              x3="-3.913727"
                              y3="-4.281258"
                              z3="0.232393"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.080725"
                              y3="-1.495246"
                              z3="1.819973"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.92962"
                              y3="-1.13439"
                              z3="2.423634"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.623856"
                              y3="4.803541"
                              z3="-0.194231"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.487734"
                              y3="5.817925"
                              z3="0.214994"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803848"
                              y3="3.238031"
                              z3="-1.595702"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612541"
                              y3="3.009062"
                              z3="-2.308959"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.436447"
                              y3="-0.523436"
                              z3="1.011239"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.264127"
                              y3="0.009585"
                              z3="2.259709"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.436293"
                              y3="-0.61784"
                              z3="3.287979"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.797101"
                              y3="1.43625"
                              z3="2.16804"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.963266"
                              y3="1.953878"
                              z3="3.129419"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.70868"
                              y3="1.408357"
                              z3="1.950247"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.287604"
                              y3="1.978534"
                              z3="1.338572"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.186171"
                              y3="4.314583"
                              z3="0.573461"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.01828"
                              y3="-1.646655"
                              z3="-3.688022"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.045893"
                              y3="-2.825368"
                              z3="1.377477"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.674164"
                              y3="4.537023"
                              z3="-1.084566"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.14993"
                              y3="-1.931395"
                              z3="0.391197"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.414357"
                              y3="-2.425313"
                              z3="-0.03642"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.53588"
                              y3="-1.965021"
                              z3="0.907321"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.457237"
                              y3="-3.948408"
                              z3="-0.213827"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.607271"
                              y3="-1.955603"
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                        <atom elementType="C"
                              id="a67"
                              x3="4.91088"
                              y3="-2.38177"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.363025"
                              y3="-2.388108"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.83503"
                              y3="-4.396101"
                              z3="-0.724977"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.654892"
                              y3="-4.250119"
                              z3="-0.920279"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.221539"
                              y3="-4.415958"
                              z3="0.763266"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.964493"
                              y3="-3.905877"
                              z3="0.195372"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.10815"
                              y3="-1.865765"
                              z3="-0.576088"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.689594"
                              y3="-2.04375"
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                              id="a75"
                              x3="3.866304"
                              y3="-5.501909"
                              z3="-0.819039"/>
                        <atom elementType="H"
                              id="a76"
                              x3="3.998191"
                              y3="-3.99026"
                              z3="-1.749791"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.954287"
                              y3="-4.20134"
                              z3="-0.211366"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.869936"
                              y3="-4.402631"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.861726"
                              y3="-3.521955"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.877878"
                              y3="5.156471"
                              z3="0.783143"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.197875"
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                              id="a82"
                              x3="0.255251"
                              y3="-2.221999"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.82587"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.372708"
                              y3="5.331316"
                              z3="-1.386345"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.680593"
                              y3="-2.109553"
                              z3="1.982407"/>
                        <atom elementType="O"
                              id="a86"
                              x3="1.071128"
                              y3="-3.149099"
                              z3="2.47613"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.009913"
                              y3="-1.116248"
                              z3="2.22774"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.439112"
                              y3="1.758987"
                              z3="-2.577197"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.067913"
                              y3="1.835746"
                              z3="0.084445"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070533"
                              y3="-0.52423"
                              z3="-0.371976"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948194"
                              y3="-0.16008"
                              z3="0.451374"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.922236"
                              y3="-1.023454"
                              z3="0.732147"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.043717"
                              y3="-0.601628"
                              z3="1.510939"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.09669"
                              y3="0.80936"
                              z3="2.021557"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.029849"
                              y3="0.944054"
                              z3="2.60961"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.243838"
                              y3="1.022266"
                              z3="2.703668"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046315"
                              y3="1.813085"
                              z3="0.917268"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.567427"
                              y3="1.416825"
                              z3="0.119145"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.718694"
                              y3="3.081113"
                              z3="1.30117"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.558622"
                              y3="3.22401"
                              z3="2.390163"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.815971"
                              y3="2.976107"
                              z3="1.154062"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.792246"
                              y3="4.715646"
                              z3="1.043559"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.597793"
                              y3="5.791395"
                              z3="0.834093"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.724496"
                              y3="4.590992"
                              z3="2.1450"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.715351"
                              y3="3.901237"
                              z3="0.435606"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598482"
                              y3="4.226489"
                              z3="-0.538211"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.408898"
                              y3="4.102881"
                              z3="1.123303"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.394461"
                              y3="3.447102"
                              z3="2.020508"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.326014"
                              y3="5.154255"
                              z3="1.474473"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.727404"
                              y3="3.792808"
                              z3="0.193641"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864299"
                              y3="2.462429"
                              z3="-0.307912"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.018569"
                              y3="1.512963"
                              z3="0.109924"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925251"
                              y3="2.201458"
                              z3="-1.224656"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175386"
                              y3="0.819972"
                              z3="-1.763042"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.692721"
                              y3="0.209014"
                              z3="-0.992072"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.868546"
                              y3="0.899608"
                              z3="-2.630081"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938011"
                              y3="0.110284"
                              z3="-2.169476"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261343"
                              y3="0.805679"
                              z3="-2.537056"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212192"
                              y3="-0.85987"
                              z3="-3.248922"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995213"
                              y3="-1.560589"
                              z3="-2.887997"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650875"
                              y3="-0.325235"
                              z3="-4.123614"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553252"
                              y3="-2.624318"
                              z3="-2.647667"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.25141"
                              y3="-3.348207"
                              z3="-3.13061"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.278892"
                              y3="-3.226736"
                              z3="-2.224266"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229989"
                              y3="-1.948158"
                              z3="-1.52961"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.017067"
                              y3="-1.395463"
                              z3="-1.908543"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.751677"
                              y3="-2.919726"
                              z3="-0.543347"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.896779"
                              y3="-3.227072"
                              z3="0.099047"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.097847"
                              y3="-3.842789"
                              z3="-1.062272"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.895674"
                              y3="-2.377717"
                              z3="0.274795"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.954949"
                              y3="-3.245121"
                              z3="0.60045"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.915088"
                              y3="-4.28166"
                              z3="0.227121"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.08319"
                              y3="-1.496958"
                              z3="1.816233"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.932689"
                              y3="-1.136512"
                              z3="2.419293"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.622994"
                              y3="4.803894"
                              z3="-0.192702"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.486673"
                              y3="5.818356"
                              z3="0.216261"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803965"
                              y3="3.238015"
                              z3="-1.592901"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.613291"
                              y3="3.008796"
                              z3="-2.305356"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.441051"
                              y3="-0.523642"
                              z3="1.010463"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.269255"
                              y3="0.009654"
                              z3="2.258869"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.439941"
                              y3="-0.61815"
                              z3="3.287157"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.805019"
                              y3="1.437159"
                              z3="2.167259"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.971846"
                              y3="1.954259"
                              z3="3.128813"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.716621"
                              y3="1.41134"
                              z3="1.949425"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.296709"
                              y3="1.978772"
                              z3="1.338026"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.189041"
                              y3="4.313036"
                              z3="0.573074"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.018033"
                              y3="-1.64566"
                              z3="-3.688136"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.048367"
                              y3="-2.826558"
                              z3="1.372156"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.674275"
                              y3="4.537008"
                              z3="-1.081763"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.151578"
                              y3="-1.928632"
                              z3="0.392895"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.415033"
                              y3="-2.42479"
                              z3="-0.035388"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.538101"
                              y3="-1.9654"
                              z3="0.9071"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.455918"
                              y3="-3.948093"
                              z3="-0.211507"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.607698"
                              y3="-1.956062"
                              z3="-1.027527"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.912142"
                              y3="-2.384121"
                              z3="0.389077"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.3656"
                              y3="-2.387701"
                              z3="1.91682"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.83264"
                              y3="-4.397632"
                              z3="-0.723942"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.652509"
                              y3="-4.249665"
                              z3="-0.916769"/>
                        <atom elementType="H"
                              id="a71"
                              x3="2.220958"
                              y3="-4.414529"
                              z3="0.766292"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.963645"
                              y3="-3.908372"
                              z3="0.194947"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.109352"
                              y3="-1.868739"
                              z3="-0.577488"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.691726"
                              y3="-2.046848"
                              z3="1.102974"/>
                        <atom elementType="H"
                              id="a75"
                              x3="3.862511"
                              y3="-5.503516"
                              z3="-0.817555"/>
                        <atom elementType="H"
                              id="a76"
                              x3="3.995161"
                              y3="-3.992402"
                              z3="-1.749099"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.952643"
                              y3="-4.205287"
                              z3="-0.212672"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.869507"
                              y3="-4.404565"
                              z3="1.186254"/>
                        <atom elementType="H"
                              id="a79"
                              x3="-5.864843"
                              y3="-3.523069"
                              z3="1.613315"/>
                        <atom elementType="H"
                              id="a80"
                              x3="-4.88192"
                              y3="5.154082"
                              z3="0.782263"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.205237"
                              y3="4.16536"
                              z3="-0.529362"/>
                        <atom elementType="H"
                              id="a82"
                              x3="0.255779"
                              y3="-2.220684"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.825669"
                              y3="-0.94507"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.373469"
                              y3="5.331052"
                              z3="-1.382688"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.682344"
                              y3="-2.107236"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.074549"
                              y3="-3.14588"
                              z3="2.478019"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.010305"
                              y3="-1.11478"
                              z3="2.228585"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.443048"
                              y3="1.755046"
                              z3="-2.575541"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.0669"
                              y3="1.836081"
                              z3="0.08435"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.069999"
                              y3="-0.524446"
                              z3="-0.371512"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.947773"
                              y3="-0.159729"
                              z3="0.451266"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.921832"
                              y3="-1.022961"
                              z3="0.732474"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.043043"
                              y3="-0.600882"
                              z3="1.511469"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.09545"
                              y3="0.810157"
                              z3="2.021872"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.02818"
                              y3="0.94518"
                              z3="2.610511"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.241988"
                              y3="1.022674"
                              z3="2.70335"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.045647"
                              y3="1.813511"
                              z3="0.917165"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566288"
                              y3="1.416398"
                              z3="0.119172"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.719121"
                              y3="3.081319"
                              z3="1.300067"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.561684"
                              y3="3.223872"
                              z3="2.389491"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.81602"
                              y3="2.976243"
                              z3="1.15032"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.791246"
                              y3="4.714725"
                              z3="1.04564"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.596293"
                              y3="5.790817"
                              z3="0.838367"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723726"
                              y3="4.587686"
                              z3="2.146835"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.714534"
                              y3="3.901319"
                              z3="0.436151"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598618"
                              y3="4.227436"
                              z3="-0.537491"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.407676"
                              y3="4.102966"
                              z3="1.123116"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.393113"
                              y3="3.447227"
                              z3="2.02035"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.324633"
                              y3="5.154384"
                              z3="1.474148"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.728135"
                              y3="3.792849"
                              z3="0.192935"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865099"
                              y3="2.462357"
                              z3="-0.308215"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019627"
                              y3="1.512895"
                              z3="0.110132"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925797"
                              y3="2.201315"
                              z3="-1.22522"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175968"
                              y3="0.819715"
                              z3="-1.763246"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693443"
                              y3="0.208998"
                              z3="-0.992204"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.868949"
                              y3="0.899179"
                              z3="-2.630444"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938538"
                              y3="0.109902"
                              z3="-2.169237"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.2618"
                              y3="0.805277"
                              z3="-2.536739"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212521"
                              y3="-0.860321"
                              z3="-3.248662"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.99561"
                              y3="-1.56099"
                              z3="-2.887785"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.65108"
                              y3="-0.32577"
                              z3="-4.12347"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.552857"
                              y3="-2.624768"
                              z3="-2.646887"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.250889"
                              y3="-3.348827"
                              z3="-3.129773"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.279291"
                              y3="-3.226966"
                              z3="-2.223157"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229821"
                              y3="-1.948396"
                              z3="-1.529107"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.01676"
                              y3="-1.395705"
                              z3="-1.908298"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.751812"
                              y3="-2.919701"
                              z3="-0.542756"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.897068"
                              y3="-3.227255"
                              z3="0.099708"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.098296"
                              y3="-3.842694"
                              z3="-1.061619"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.895595"
                              y3="-2.377277"
                              z3="0.275347"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.954965"
                              y3="-3.244427"
                              z3="0.601349"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.915338"
                              y3="-4.28104"
                              z3="0.228196"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.082634"
                              y3="-1.495932"
                              z3="1.817154"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.931902"
                              y3="-1.135242"
                              z3="2.420393"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.62328"
                              y3="4.804031"
                              z3="-0.194199"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.486863"
                              y3="5.818601"
                              z3="0.214466"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.804093"
                              y3="3.237951"
                              z3="-1.594252"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.613193"
                              y3="3.008646"
                              z3="-2.306937"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.438011"
                              y3="-0.523946"
                              z3="1.010983"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.266006"
                              y3="0.009205"
                              z3="2.259438"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.43867"
                              y3="-0.618063"
                              z3="3.287716"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.798554"
                              y3="1.43572"
                              z3="2.16767"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.964352"
                              y3="1.953431"
                              z3="3.129066"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.710192"
                              y3="1.407433"
                              z3="1.949655"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.28904"
                              y3="1.978152"
                              z3="1.338284"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.188038"
                              y3="4.313655"
                              z3="0.57379"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.017694"
                              y3="-1.646276"
                              z3="-3.687589"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.048166"
                              y3="-2.825587"
                              z3="1.373208"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.674244"
                              y3="4.537116"
                              z3="-1.083619"/>
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                              id="a62"
                              x3="1.150783"
                              y3="-1.930826"
                              z3="0.391744"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.414842"
                              y3="-2.425463"
                              z3="-0.036225"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.536853"
                              y3="-1.965567"
                              z3="0.907146"/>
                        <atom elementType="C"
                              id="a65"
                              x3="2.457041"
                              y3="-3.948602"
                              z3="-0.21337"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.607649"
                              y3="-1.955985"
                              z3="-1.027977"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.911537"
                              y3="-2.382884"
                              z3="0.389644"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.364099"
                              y3="-2.38852"
                              z3="1.916573"/>
                        <atom elementType="C"
                              id="a69"
                              x3="3.834483"
                              y3="-4.396855"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.654315"
                              y3="-4.250175"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.221602"
                              y3="-4.415875"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.964472"
                              y3="-3.907023"
                              z3="0.194919"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.108749"
                              y3="-1.867004"
                              z3="-0.57666"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.690515"
                              y3="-2.045131"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.865298"
                              y3="-5.502682"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.997429"
                              y3="-3.991133"
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                        <atom elementType="H"
                              id="a77"
                              x3="5.954002"
                              y3="-4.202905"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.870084"
                              y3="-4.403712"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.864717"
                              y3="-3.521925"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.880536"
                              y3="5.154926"
                              z3="0.783332"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.203496"
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                              id="a82"
                              x3="0.25609"
                              y3="-2.221442"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.82541"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.373081"
                              y3="5.33124"
                              z3="-1.385167"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.681942"
                              y3="-2.108478"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.072501"
                              y3="-3.147874"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.011436"
                              y3="-1.115004"
                              z3="2.228128"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.441398"
                              y3="1.756334"
                              z3="-2.575725"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066814"
                              y3="1.836295"
                              z3="0.083893"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070224"
                              y3="-0.524629"
                              z3="-0.372234"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948394"
                              y3="-0.159522"
                              z3="0.449955"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.922317"
                              y3="-1.022737"
                              z3="0.731653"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.043436"
                              y3="-0.600552"
                              z3="1.510719"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.096007"
                              y3="0.810617"
                              z3="2.020751"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.028802"
                              y3="0.945656"
                              z3="2.609257"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.242777"
                              y3="1.023531"
                              z3="2.702384"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046241"
                              y3="1.81374"
                              z3="0.915804"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566121"
                              y3="1.41596"
                              z3="0.117669"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.720876"
                              y3="3.081274"
                              z3="1.297924"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.567475"
                              y3="3.222149"
                              z3="2.388116"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.8172"
                              y3="2.976748"
                              z3="1.143761"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.790206"
                              y3="4.712512"
                              z3="1.050496"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.594126"
                              y3="5.789311"
                              z3="0.84792"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723589"
                              y3="4.580766"
                              z3="2.151201"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713877"
                              y3="3.900774"
                              z3="0.438303"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.599169"
                              y3="4.228807"
                              z3="-0.534845"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.406412"
                              y3="4.101606"
                              z3="1.124243"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.391161"
                              y3="3.444946"
                              z3="2.020776"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.322974"
                              y3="5.15269"
                              z3="1.476206"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.72855"
                              y3="3.792124"
                              z3="0.192806"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865139"
                              y3="2.461812"
                              z3="-0.308947"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019801"
                              y3="1.51235"
                              z3="0.109643"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925351"
                              y3="2.200992"
                              z3="-1.226558"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175523"
                              y3="0.819436"
                              z3="-1.7647"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693336"
                              y3="0.208839"
                              z3="-0.993784"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.868209"
                              y3="0.898978"
                              z3="-2.63213"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938091"
                              y3="0.109392"
                              z3="-2.170261"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261201"
                              y3="0.804621"
                              z3="-2.537795"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212059"
                              y3="-0.861037"
                              z3="-3.2495"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995147"
                              y3="-1.561656"
                              z3="-2.888512"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650612"
                              y3="-0.326638"
                              z3="-4.124405"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553369"
                              y3="-2.62526"
                              z3="-2.647406"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251413"
                              y3="-3.349436"
                              z3="-3.130102"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.27878"
                              y3="-3.227383"
                              z3="-2.223582"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.230258"
                              y3="-1.948614"
                              z3="-1.529765"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.017118"
                              y3="-1.395899"
                              z3="-1.909061"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752363"
                              y3="-2.919753"
                              z3="-0.543309"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.897634"
                              y3="-3.22736"
                              z3="0.099144"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.098986"
                              y3="-3.842741"
                              z3="-1.062098"/>
                        <atom elementType="C"
                              id="a42"
                              x3="-2.896049"
                              y3="-2.377165"
                              z3="0.274823"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.955287"
                              y3="-3.244325"
                              z3="0.601216"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.915643"
                              y3="-4.281023"
                              z3="0.228294"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.082884"
                              y3="-1.495643"
                              z3="1.816809"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.932088"
                              y3="-1.134875"
                              z3="2.420095"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.623372"
                              y3="4.803463"
                              z3="-0.194624"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.487267"
                              y3="5.817886"
                              z3="0.214513"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803323"
                              y3="3.237795"
                              z3="-1.59591"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612022"
                              y3="3.008707"
                              z3="-2.309122"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.437071"
                              y3="-0.523132"
                              z3="1.010541"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.266845"
                              y3="0.010399"
                              z3="2.259059"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.440266"
                              y3="-0.616793"
                              z3="3.287266"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.800566"
                              y3="1.43729"
                              z3="2.167626"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.967585"
                              y3="1.954811"
                              z3="3.128917"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.712037"
                              y3="1.410113"
                              z3="1.950437"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.290993"
                              y3="1.979295"
                              z3="1.337906"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.186851"
                              y3="4.31458"
                              z3="0.575513"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.018179"
                              y3="-1.64702"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.048381"
                              y3="-2.825407"
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                        <atom elementType="C"
                              id="a61"
                              x3="2.673699"
                              y3="4.536841"
                              z3="-1.084897"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.150093"
                              y3="-1.931424"
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                        <atom elementType="C"
                              id="a63"
                              x3="2.414573"
                              y3="-2.425625"
                              z3="-0.035985"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.536318"
                              y3="-1.964764"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.457476"
                              y3="-3.948872"
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                        <atom elementType="H"
                              id="a66"
                              x3="2.607344"
                              y3="-1.956657"
                              z3="-1.027997"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.911235"
                              y3="-2.381804"
                              z3="0.390143"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.363709"
                              y3="-2.387303"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.835145"
                              y3="-4.396919"
                              z3="-0.72328"/>
                        <atom elementType="H"
                              id="a70"
                              x3="1.654973"
                              y3="-4.251282"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.222135"
                              y3="-4.415552"
                              z3="0.765508"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.964846"
                              y3="-3.906031"
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                        <atom elementType="H"
                              id="a73"
                              x3="5.108355"
                              y3="-1.866389"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.689974"
                              y3="-2.043321"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.866414"
                              y3="-5.502793"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.998006"
                              y3="-3.991801"
                              z3="-1.748428"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.954531"
                              y3="-4.201757"
                              z3="-0.210432"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.870588"
                              y3="-4.40211"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.864828"
                              y3="-3.521759"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.878604"
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                              z3="0.78596"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.200666"
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                              id="a82"
                              x3="0.255581"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.825855"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.372282"
                              y3="5.331082"
                              z3="-1.386726"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.681437"
                              y3="-2.108123"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.073015"
                              y3="-3.146672"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.010207"
                              y3="-1.114949"
                              z3="2.227026"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.440431"
                              y3="1.758195"
                              z3="-2.576297"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066718"
                              y3="1.836263"
                              z3="0.083671"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070253"
                              y3="-0.524878"
                              z3="-0.371654"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.94833"
                              y3="-0.159424"
                              z3="0.450354"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.92227"
                              y3="-1.022572"
                              z3="0.732213"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.04352"
                              y3="-0.600119"
                              z3="1.510943"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.096269"
                              y3="0.811269"
                              z3="2.02038"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.029179"
                              y3="0.946465"
                              z3="2.60867"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.243091"
                              y3="1.024403"
                              z3="2.702024"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046372"
                              y3="1.813952"
                              z3="0.915013"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566025"
                              y3="1.415794"
                              z3="0.116924"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.721145"
                              y3="3.081681"
                              z3="1.296303"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.56858"
                              y3="3.222953"
                              z3="2.386573"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.817363"
                              y3="2.97722"
                              z3="1.141407"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.790081"
                              y3="4.712648"
                              z3="1.049846"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.593766"
                              y3="5.789399"
                              z3="0.847275"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.724136"
                              y3="4.581008"
                              z3="2.150609"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.713491"
                              y3="3.900715"
                              z3="0.438331"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.59825"
                              y3="4.228579"
                              z3="-0.534812"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.406251"
                              y3="4.101403"
                              z3="1.124756"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.39114"
                              y3="3.444717"
                              z3="2.021305"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.322835"
                              y3="5.152438"
                              z3="1.476875"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.72887"
                              y3="3.791867"
                              z3="0.193551"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865321"
                              y3="2.461606"
                              z3="-0.308346"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019859"
                              y3="1.512187"
                              z3="0.110107"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925465"
                              y3="2.200792"
                              z3="-1.226027"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175472"
                              y3="0.819313"
                              z3="-1.764441"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.69353"
                              y3="0.208636"
                              z3="-0.993759"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.86794"
                              y3="0.899003"
                              z3="-2.632035"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.937999"
                              y3="0.109231"
                              z3="-2.169778"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261062"
                              y3="0.80443"
                              z3="-2.537285"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.211836"
                              y3="-0.861273"
                              z3="-3.248989"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995091"
                              y3="-1.561751"
                              z3="-2.888097"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650132"
                              y3="-0.32693"
                              z3="-4.124057"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553268"
                              y3="-2.625733"
                              z3="-2.646365"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251259"
                              y3="-3.350056"
                              z3="-3.128913"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.279011"
                              y3="-3.22766"
                              z3="-2.222512"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.230179"
                              y3="-1.949024"
                              z3="-1.528767"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.017131"
                              y3="-1.39647"
                              z3="-1.908096"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752153"
                              y3="-2.919955"
                              z3="-0.542037"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.897405"
                              y3="-3.227334"
                              z3="0.100496"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.098704"
                              y3="-3.843115"
                              z3="-1.06056"/>
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                              id="a42"
                              x3="-2.895882"
                              y3="-2.377168"
                              z3="0.275909"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.95507"
                              y3="-3.244277"
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                        <atom elementType="H"
                              id="a44"
                              x3="-3.915314"
                              y3="-4.281129"
                              z3="0.23011"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.082932"
                              y3="-1.495155"
                              z3="1.817307"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.932236"
                              y3="-1.134195"
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                        <atom elementType="C"
                              id="a47"
                              x3="1.623819"
                              y3="4.803156"
                              z3="-0.193705"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.487816"
                              y3="5.817545"
                              z3="0.215546"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.80358"
                              y3="3.237537"
                              z3="-1.595201"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612246"
                              y3="3.008467"
                              z3="-2.308457"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.437794"
                              y3="-0.523043"
                              z3="1.010858"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.265644"
                              y3="0.010054"
                              z3="2.259286"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.437807"
                              y3="-0.61733"
                              z3="3.287586"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.798744"
                              y3="1.436753"
                              z3="2.167566"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.964905"
                              y3="1.954401"
                              z3="3.128935"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.710339"
                              y3="1.408925"
                              z3="1.949753"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.289297"
                              y3="1.978982"
                              z3="1.338088"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.18646"
                              y3="4.31477"
                              z3="0.573998"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.018367"
                              y3="-1.647512"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.048261"
                              y3="-2.825113"
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                              id="a61"
                              x3="2.674134"
                              y3="4.536514"
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                              id="a62"
                              x3="1.15084"
                              y3="-1.930732"
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                              id="a63"
                              x3="2.415036"
                              y3="-2.424878"
                              z3="-0.036257"/>
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                              id="a64"
                              x3="3.53694"
                              y3="-1.964657"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.457754"
                              y3="-3.947995"
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                        <atom elementType="H"
                              id="a66"
                              x3="2.607657"
                              y3="-1.955289"
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                              id="a67"
                              x3="4.911756"
                              y3="-2.38157"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.364271"
                              y3="-2.387621"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.835327"
                              y3="-4.395746"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.655104"
                              y3="-4.249777"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.222531"
                              y3="-4.415431"
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                        <atom elementType="C"
                              id="a72"
                              x3="4.965143"
                              y3="-3.905678"
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                              id="a73"
                              x3="5.108875"
                              y3="-1.865558"
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                        <atom elementType="H"
                              id="a74"
                              x3="5.690618"
                              y3="-2.043641"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.866495"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.99815"
                              y3="-3.989836"
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                        <atom elementType="H"
                              id="a77"
                              x3="5.954774"
                              y3="-4.201241"
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                        <atom elementType="H"
                              id="a78"
                              x3="4.870846"
                              y3="-4.402463"
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                              id="a79"
                              x3="-5.864668"
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                              id="a80"
                              x3="-4.878273"
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                              id="a81"
                              x3="-4.199508"
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                              id="a83"
                              x3="-0.82621"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.372832"
                              y3="5.330703"
                              z3="-1.38568"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.681461"
                              y3="-2.109445"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.073521"
                              y3="-3.148298"
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                        <atom elementType="O"
                              id="a87"
                              x3="0.009304"
                              y3="-1.117073"
                              z3="2.227891"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.439944"
                              y3="1.758205"
                              z3="-2.576485"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.067228"
                              y3="1.836018"
                              z3="0.084839"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070045"
                              y3="-0.524286"
                              z3="-0.371415"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948027"
                              y3="-0.159929"
                              z3="0.451121"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.922179"
                              y3="-1.023201"
                              z3="0.731869"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.043504"
                              y3="-0.601377"
                              z3="1.510825"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.095589"
                              y3="0.809287"
                              z3="2.022211"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.028245"
                              y3="0.944165"
                              z3="2.611011"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.24204"
                              y3="1.021166"
                              z3="2.703764"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.045613"
                              y3="1.81339"
                              z3="0.91824"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566738"
                              y3="1.417161"
                              z3="0.120111"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.718366"
                              y3="3.081101"
                              z3="1.302503"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.558483"
                              y3="3.223662"
                              z3="2.391564"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.815599"
                              y3="2.975895"
                              z3="1.155189"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.791837"
                              y3="4.715469"
                              z3="1.044759"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.597418"
                              y3="5.791334"
                              z3="0.835797"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723383"
                              y3="4.590017"
                              z3="2.146072"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.715295"
                              y3="3.901563"
                              z3="0.435614"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.599412"
                              y3="4.227144"
                              z3="-0.538208"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.408437"
                              y3="4.103565"
                              z3="1.122502"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.394022"
                              y3="3.448157"
                              z3="2.019956"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.325477"
                              y3="5.155137"
                              z3="1.473084"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.727522"
                              y3="3.793263"
                              z3="0.192533"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.864699"
                              y3="2.462662"
                              z3="-0.308308"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.01932"
                              y3="1.513166"
                              z3="0.110139"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925569"
                              y3="2.201546"
                              z3="-1.225112"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175909"
                              y3="0.819854"
                              z3="-1.762829"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693124"
                              y3="0.209229"
                              z3="-0.991536"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.869151"
                              y3="0.899171"
                              z3="-2.629829"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938542"
                              y3="0.110076"
                              z3="-2.169099"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261825"
                              y3="0.805476"
                              z3="-2.536586"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212727"
                              y3="-0.859974"
                              z3="-3.248631"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995786"
                              y3="-1.560672"
                              z3="-2.887743"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.651407"
                              y3="-0.325255"
                              z3="-4.123276"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.552648"
                              y3="-2.624501"
                              z3="-2.647358"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.25069"
                              y3="-3.348478"
                              z3="-3.130356"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.27946"
                              y3="-3.226809"
                              z3="-2.223715"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229595"
                              y3="-1.948227"
                              z3="-1.529529"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.016441"
                              y3="-1.395397"
                              z3="-1.908719"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.751769"
                              y3="-2.919618"
                              z3="-0.543345"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.897259"
                              y3="-3.226941"
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                        <atom elementType="H"
                              id="a41"
                              x3="-2.097859"
                              y3="-3.842702"
                              z3="-1.062308"/>
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                              id="a42"
                              x3="-2.895955"
                              y3="-2.377352"
                              z3="0.27425"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.955631"
                              y3="-3.244451"
                              z3="0.599373"/>
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                              id="a44"
                              x3="-3.916014"
                              y3="-4.280904"
                              z3="0.22577"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.083387"
                              y3="-1.496372"
                              z3="1.815678"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.932745"
                              y3="-1.13584"
                              z3="2.418889"/>
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                              id="a47"
                              x3="1.622657"
                              y3="4.804431"
                              z3="-0.194679"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.48607"
                              y3="5.819077"
                              z3="0.213743"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803834"
                              y3="3.238177"
                              z3="-1.594224"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.613056"
                              y3="3.008783"
                              z3="-2.306742"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.438757"
                              y3="-0.524159"
                              z3="1.010601"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.267873"
                              y3="0.009392"
                              z3="2.259046"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.441001"
                              y3="-0.617711"
                              z3="3.287346"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.801191"
                              y3="1.436146"
                              z3="2.167326"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.967794"
                              y3="1.953849"
                              z3="3.12859"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.712704"
                              y3="1.408559"
                              z3="1.949916"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.291604"
                              y3="1.978222"
                              z3="1.33765"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.188955"
                              y3="4.313343"
                              z3="0.574843"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.017391"
                              y3="-1.645888"
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                        <atom elementType="C"
                              id="a60"
                              x3="-5.049082"
                              y3="-2.825782"
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                        <atom elementType="C"
                              id="a61"
                              x3="2.673799"
                              y3="4.537439"
                              z3="-1.083869"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.150874"
                              y3="-1.930747"
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                              id="a63"
                              x3="2.414824"
                              y3="-2.42593"
                              z3="-0.035731"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.537188"
                              y3="-1.965835"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.456658"
                              y3="-3.949193"
                              z3="-0.211916"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.607599"
                              y3="-1.957048"
                              z3="-1.027777"/>
                        <atom elementType="C"
                              id="a67"
                              x3="4.911628"
                              y3="-2.383624"
                              z3="0.389415"/>
                        <atom elementType="H"
                              id="a68"
                              x3="3.3647"
                              y3="-2.388363"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.833848"
                              y3="-4.398071"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.653694"
                              y3="-4.251077"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.221387"
                              y3="-4.41577"
                              z3="0.765751"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.964259"
                              y3="-3.907872"
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                        <atom elementType="H"
                              id="a73"
                              x3="5.108587"
                              y3="-1.868264"
                              z3="-0.577218"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.690902"
                              y3="-2.045652"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.864407"
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                        <atom elementType="H"
                              id="a76"
                              x3="3.99652"
                              y3="-3.993047"
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                        <atom elementType="H"
                              id="a77"
                              x3="5.953583"
                              y3="-4.204141"
                              z3="-0.211792"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.870193"
                              y3="-4.40398"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.865884"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.881614"
                              y3="5.154378"
                              z3="0.784814"/>
                        <atom elementType="H"
                              id="a81"
                              x3="-4.205766"
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                              x3="0.256526"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.825075"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.372611"
                              y3="5.331566"
                              z3="-1.385464"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.682367"
                              y3="-2.107381"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.073547"
                              y3="-3.146093"
                              z3="2.478078"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.011477"
                              y3="-1.113982"
                              z3="2.22767"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.442068"
                              y3="1.755984"
                              z3="-2.575319"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Zn"
                              id="a1"
                              x3="-2.066941"
                              y3="1.836192"
                              z3="0.084015"/>
                        <atom elementType="Zn"
                              id="a2"
                              x3="-0.070204"
                              y3="-0.524686"
                              z3="-0.371556"/>
                        <atom elementType="O"
                              id="a3"
                              x3="-1.948277"
                              y3="-0.159576"
                              z3="0.45056"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-2.92227"
                              y3="-1.022773"
                              z3="0.732078"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-4.043548"
                              y3="-0.600522"
                              z3="1.510875"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-4.09609"
                              y3="0.810632"
                              z3="2.020939"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-5.02892"
                              y3="0.945723"
                              z3="2.609391"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-3.242797"
                              y3="1.023367"
                              z3="2.702559"/>
                        <atom elementType="N"
                              id="a9"
                              x3="-4.046163"
                              y3="1.813785"
                              z3="0.916035"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-4.566325"
                              y3="1.416283"
                              z3="0.117938"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-4.720228"
                              y3="3.08152"
                              z3="1.29834"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-4.565168"
                              y3="3.223215"
                              z3="2.388206"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.816798"
                              y3="2.976823"
                              z3="1.146019"/>
                        <atom elementType="C"
                              id="a14"
                              x3="-2.79069"
                              y3="4.713645"
                              z3="1.048092"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.595001"
                              y3="5.790091"
                              z3="0.843328"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.723926"
                              y3="4.584133"
                              z3="2.149052"/>
                        <atom elementType="N"
                              id="a17"
                              x3="-1.714109"
                              y3="3.901012"
                              z3="0.437428"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-1.598599"
                              y3="4.228095"
                              z3="-0.535942"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.407014"
                              y3="4.102109"
                              z3="1.124051"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-0.392143"
                              y3="3.44583"
                              z3="2.020892"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.323746"
                              y3="5.153312"
                              z3="1.475689"/>
                        <atom elementType="C"
                              id="a22"
                              x3="0.728399"
                              y3="3.792324"
                              z3="0.193273"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.865081"
                              y3="2.461958"
                              z3="-0.308294"/>
                        <atom elementType="O"
                              id="a24"
                              x3="0.019633"
                              y3="1.512516"
                              z3="0.110136"/>
                        <atom elementType="C"
                              id="a25"
                              x3="1.925467"
                              y3="2.201051"
                              z3="-1.225683"/>
                        <atom elementType="C"
                              id="a26"
                              x3="2.175582"
                              y3="0.819509"
                              z3="-1.763884"/>
                        <atom elementType="H"
                              id="a27"
                              x3="2.693369"
                              y3="0.208843"
                              z3="-0.99301"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.868299"
                              y3="0.899088"
                              z3="-2.631286"/>
                        <atom elementType="N"
                              id="a29"
                              x3="0.938147"
                              y3="0.109522"
                              z3="-2.169528"/>
                        <atom elementType="H"
                              id="a30"
                              x3="0.261274"
                              y3="0.804782"
                              z3="-2.537025"/>
                        <atom elementType="C"
                              id="a31"
                              x3="1.212109"
                              y3="-0.860825"
                              z3="-3.248849"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.995317"
                              y3="-1.561359"
                              z3="-2.887965"/>
                        <atom elementType="H"
                              id="a33"
                              x3="1.650512"
                              y3="-0.326348"
                              z3="-4.123781"/>
                        <atom elementType="C"
                              id="a34"
                              x3="-0.553041"
                              y3="-2.625343"
                              z3="-2.646653"/>
                        <atom elementType="H"
                              id="a35"
                              x3="-1.251028"
                              y3="-3.349576"
                              z3="-3.129346"/>
                        <atom elementType="H"
                              id="a36"
                              x3="0.279195"
                              y3="-3.227367"
                              z3="-2.222856"/>
                        <atom elementType="N"
                              id="a37"
                              x3="-1.229988"
                              y3="-1.94878"
                              z3="-1.528993"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-2.016907"
                              y3="-1.396148"
                              z3="-1.908291"/>
                        <atom elementType="C"
                              id="a39"
                              x3="-1.752031"
                              y3="-2.919857"
                              z3="-0.542442"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-0.897362"
                              y3="-3.227219"
                              z3="0.100207"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-2.098431"
                              y3="-3.842995"
                              z3="-1.061107"/>
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                              id="a42"
                              x3="-2.895914"
                              y3="-2.377236"
                              z3="0.27538"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-3.955239"
                              y3="-3.244354"
                              z3="0.601591"/>
                        <atom elementType="H"
                              id="a44"
                              x3="-3.915509"
                              y3="-4.281087"
                              z3="0.228779"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-5.083093"
                              y3="-1.495558"
                              z3="1.816781"/>
                        <atom elementType="H"
                              id="a46"
                              x3="-5.932416"
                              y3="-1.134737"
                              z3="2.419868"/>
                        <atom elementType="C"
                              id="a47"
                              x3="1.623419"
                              y3="4.803574"
                              z3="-0.193946"/>
                        <atom elementType="H"
                              id="a48"
                              x3="1.487227"
                              y3="5.818044"
                              z3="0.215043"/>
                        <atom elementType="C"
                              id="a49"
                              x3="2.803642"
                              y3="3.237757"
                              z3="-1.594816"/>
                        <atom elementType="H"
                              id="a50"
                              x3="3.612493"
                              y3="3.008586"
                              z3="-2.307828"/>
                        <atom elementType="O"
                              id="a51"
                              x3="3.438174"
                              y3="-0.523433"
                              z3="1.010752"/>
                        <atom elementType="C"
                              id="a52"
                              x3="3.266443"
                              y3="0.009822"
                              z3="2.25918"/>
                        <atom elementType="O"
                              id="a53"
                              x3="3.438903"
                              y3="-0.617468"
                              z3="3.287485"/>
                        <atom elementType="C"
                              id="a54"
                              x3="2.799649"
                              y3="1.43655"
                              z3="2.167451"/>
                        <atom elementType="H"
                              id="a55"
                              x3="2.965985"
                              y3="1.954222"
                              z3="3.128777"/>
                        <atom elementType="H"
                              id="a56"
                              x3="1.711213"
                              y3="1.408828"
                              z3="1.949792"/>
                        <atom elementType="H"
                              id="a57"
                              x3="3.290156"
                              y3="1.978708"
                              z3="1.337895"/>
                        <atom elementType="C"
                              id="a58"
                              x3="-4.18731"
                              y3="4.314321"
                              z3="0.574223"/>
                        <atom elementType="C"
                              id="a59"
                              x3="-0.018048"
                              y3="-1.646989"
                              z3="-3.687566"/>
                        <atom elementType="C"
                              id="a60"
                              x3="-5.048516"
                              y3="-2.825351"
                              z3="1.373256"/>
                        <atom elementType="C"
                              id="a61"
                              x3="2.674009"
                              y3="4.536821"
                              z3="-1.083862"/>
                        <atom elementType="O"
                              id="a62"
                              x3="1.15089"
                              y3="-1.93074"
                              z3="0.391817"/>
                        <atom elementType="C"
                              id="a63"
                              x3="2.415008"
                              y3="-2.42523"
                              z3="-0.036118"/>
                        <atom elementType="C"
                              id="a64"
                              x3="3.537056"
                              y3="-1.965071"
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                        <atom elementType="C"
                              id="a65"
                              x3="2.457414"
                              y3="-3.948392"
                              z3="-0.213055"/>
                        <atom elementType="H"
                              id="a66"
                              x3="2.607698"
                              y3="-1.955859"
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                              id="a67"
                              x3="4.911749"
                              y3="-2.3823"
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                        <atom elementType="H"
                              id="a68"
                              x3="3.364418"
                              y3="-2.387883"
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                        <atom elementType="C"
                              id="a69"
                              x3="3.834863"
                              y3="-4.39653"
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                        <atom elementType="H"
                              id="a70"
                              x3="1.654668"
                              y3="-4.250179"
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                        <atom elementType="H"
                              id="a71"
                              x3="2.222146"
                              y3="-4.415557"
                              z3="0.764327"/>
                        <atom elementType="C"
                              id="a72"
                              x3="4.96486"
                              y3="-3.906453"
                              z3="0.195005"/>
                        <atom elementType="H"
                              id="a73"
                              x3="5.108842"
                              y3="-1.866501"
                              z3="-0.576831"/>
                        <atom elementType="H"
                              id="a74"
                              x3="5.690739"
                              y3="-2.044378"
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                        <atom elementType="H"
                              id="a75"
                              x3="3.865814"
                              y3="-5.502362"
                              z3="-0.818642"/>
                        <atom elementType="H"
                              id="a76"
                              x3="3.997667"
                              y3="-3.990897"
                              z3="-1.749706"/>
                        <atom elementType="H"
                              id="a77"
                              x3="5.954395"
                              y3="-4.202263"
                              z3="-0.212114"/>
                        <atom elementType="H"
                              id="a78"
                              x3="4.870606"
                              y3="-4.403025"
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                        <atom elementType="H"
                              id="a79"
                              x3="-5.865033"
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                        <atom elementType="H"
                              id="a80"
                              x3="-4.879413"
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                              z3="0.784042"/>
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                              id="a81"
                              x3="-4.20161"
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                              id="a82"
                              x3="0.255745"
                              y3="-2.222283"
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                        <atom elementType="H"
                              id="a83"
                              x3="-0.825855"
                              y3="-0.946659"
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                        <atom elementType="H"
                              id="a84"
                              x3="3.372753"
                              y3="5.330989"
                              z3="-1.385511"/>
                        <atom elementType="C"
                              id="a85"
                              x3="0.681761"
                              y3="-2.108768"
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                        <atom elementType="O"
                              id="a86"
                              x3="1.073536"
                              y3="-3.14756"
                              z3="2.477235"/>
                        <atom elementType="O"
                              id="a87"
                              x3="0.009979"
                              y3="-1.116074"
                              z3="2.227717"/>
                        <atom elementType="I"
                              id="a88"
                              x3="-2.4406"
                              y3="1.757545"
                              z3="-2.576154"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a88" order="S"/>
                        <bond atomRefs2="a1 a9" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a24" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a2 a37" order="S"/>
                        <bond atomRefs2="a2 a29" order="S"/>
                        <bond atomRefs2="a2 a24" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a62" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a42" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a45" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a58" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a58" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a19 a22" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a47" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a49" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a31 a59" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a59" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a37 a39" order="S"/>
                        <bond atomRefs2="a37 a38" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a60" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a45 a60" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a47 a61" order="S"/>
                        <bond atomRefs2="a47 a48" order="S"/>
                        <bond atomRefs2="a49 a61" order="S"/>
                        <bond atomRefs2="a49 a50" order="S"/>
                        <bond atomRefs2="a51 a64" order="S"/>
                        <bond atomRefs2="a51 a52" order="S"/>
                        <bond atomRefs2="a52 a54" order="S"/>
                        <bond atomRefs2="a52 a53" order="S"/>
                        <bond atomRefs2="a54 a56" order="S"/>
                        <bond atomRefs2="a54 a57" order="S"/>
                        <bond atomRefs2="a54 a55" order="S"/>
                        <bond atomRefs2="a58 a81" order="S"/>
                        <bond atomRefs2="a58 a80" order="S"/>
                        <bond atomRefs2="a59 a83" order="S"/>
                        <bond atomRefs2="a59 a82" order="S"/>
                        <bond atomRefs2="a60 a79" order="S"/>
                        <bond atomRefs2="a61 a84" order="S"/>
                        <bond atomRefs2="a62 a85" order="S"/>
                        <bond atomRefs2="a62 a63" order="S"/>
                        <bond atomRefs2="a63 a64" order="S"/>
                        <bond atomRefs2="a63 a65" order="S"/>
                        <bond atomRefs2="a63 a66" order="S"/>
                        <bond atomRefs2="a64 a67" order="S"/>
                        <bond atomRefs2="a64 a68" order="S"/>
                        <bond atomRefs2="a65 a69" order="S"/>
                        <bond atomRefs2="a65 a70" order="S"/>
                        <bond atomRefs2="a65 a71" order="S"/>
                        <bond atomRefs2="a67 a72" order="S"/>
                        <bond atomRefs2="a67 a73" order="S"/>
                        <bond atomRefs2="a67 a74" order="S"/>
                        <bond atomRefs2="a69 a72" order="S"/>
                        <bond atomRefs2="a69 a76" order="S"/>
                        <bond atomRefs2="a69 a75" order="S"/>
                        <bond atomRefs2="a72 a78" order="S"/>
                        <bond atomRefs2="a72 a77" order="S"/>
                        <bond atomRefs2="a85 a87" order="S"/>
                        <bond atomRefs2="a85 a86" order="S"/>
                     </bondArray>
                     <formula concise="C31H43IN4O7Zn2">
                        <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">798.0767700000004</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.595661430973</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.596480296824</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597200377818</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597746578266</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597830424731</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597851396593</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597793238247</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597851341113</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597908730381</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597946211416</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597959129325</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597915021091</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597852723252</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597739653903</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597581258454</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597460819131</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597611574467</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597413031206</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597627611729</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597750989501</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597794569519</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597849503076</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597893339476</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597931323436</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597885131912</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597957602772</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597955756954</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597950065499</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597915912319</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597911806231</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597949106188</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597948213071</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597949328328</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597911649966</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597918927426</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597904691751</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597903922075</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597918949480</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597906394462</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="88">0.497663 0.635002 -0.276426 0.030399 -0.095559 0.029806 0.029759 0.037880 -0.050969 0.086511 0.022361 0.033900 0.032475 0.020751 0.029355 0.033573 -0.040062 0.085958 0.032550 0.037577 0.029401 -0.091077 0.023173 -0.287617 -0.080541 0.020406 0.028337 0.027063 -0.048394 0.055871 0.019103 0.025957 0.024788 0.017392 0.022979 0.028287 -0.043219 0.073895 0.024164 0.033596 0.026811 -0.084956 -0.035250 0.034157 -0.039516 0.033227 -0.039115 0.034229 -0.035140 0.034449 -0.075939 0.072747 -0.174271 -0.093490 0.044716 0.059445 0.051807 -0.061097 -0.055646 -0.077790 -0.074048 -0.266556 0.033501 0.043334 -0.053114 0.009597 -0.047301 0.019002 -0.047370 0.025529 0.029596 -0.043997 0.025408 0.034052 0.031297 0.024252 0.031503 0.031251 0.034321 0.048409 0.035474 0.047625 0.031740 0.035218 0.049558 -0.176874 -0.197036 -0.449814</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                     <array dataType="xsd:double" dictRef="o:na" size="88">29.3905 29.2445 8.4455 5.7630 6.1640 5.8293 0.9763 0.9374 7.3096 0.8310 5.9495 0.9555 0.9508 5.9390 0.9563 0.9590 7.3176 0.8314 5.8082 0.9400 0.9795 6.1453 5.8056 8.4517 6.1299 5.8360 0.9409 0.9846 7.3191 0.8424 5.9452 0.9616 0.9673 5.9273 0.9702 0.9673 7.3238 0.8405 5.8325 0.9386 0.9839 6.1340 6.0607 1.0012 6.0557 1.0030 6.0573 1.0016 6.0587 1.0007 8.2772 5.9125 8.2166 6.0139 0.9524 0.9076 0.9348 6.0213 6.0194 6.0318 6.0283 8.4851 5.8594 5.9670 5.9722 1.0086 5.9483 0.9673 6.0391 0.9797 0.9773 6.0282 0.9885 0.9750 0.9749 0.9880 0.9741 0.9768 0.9957 0.9557 0.9555 0.9597 0.9612 0.9938 5.7728 8.2201 8.2510 25.5446</array>
                     <array dataType="xsd:double" dictRef="o:za" size="88">30.0000 30.0000 8.0000 6.0000 6.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 6.0000 8.0000 6.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 6.0000 1.0000 6.0000 1.0000 6.0000 1.0000 6.0000 1.0000 8.0000 6.0000 8.0000 6.0000 1.0000 1.0000 1.0000 6.0000 6.0000 6.0000 6.0000 8.0000 6.0000 6.0000 6.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 8.0000 8.0000 25.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="88">0.6095 0.7555 -0.4455 0.2370 -0.1640 0.1707 0.0237 0.0626 -0.3096 0.1690 0.0505 0.0445 0.0492 0.0610 0.0437 0.0410 -0.3176 0.1686 0.1918 0.0600 0.0205 -0.1453 0.1944 -0.4517 -0.1299 0.1640 0.0591 0.0154 -0.3191 0.1576 0.0548 0.0384 0.0327 0.0727 0.0298 0.0327 -0.3238 0.1595 0.1675 0.0614 0.0161 -0.1340 -0.0607 -0.0012 -0.0557 -0.0030 -0.0573 -0.0016 -0.0587 -0.0007 -0.2772 0.0875 -0.2166 -0.0139 0.0476 0.0924 0.0652 -0.0213 -0.0194 -0.0318 -0.0283 -0.4851 0.1406 0.0330 0.0278 -0.0086 0.0517 0.0327 -0.0391 0.0203 0.0227 -0.0282 0.0115 0.0250 0.0251 0.0120 0.0259 0.0232 0.0043 0.0443 0.0445 0.0403 0.0388 0.0062 0.2272 -0.2201 -0.2510 -0.5446</array>
                     <array dataType="xsd:double" dictRef="o:va" size="88">2.4343 2.2975 2.1618 3.9490 3.9520 3.8744 0.9952 0.9880 3.3095 0.9822 4.0637 0.9928 0.9774 4.0198 0.9790 0.9946 3.3338 0.9842 3.8672 0.9941 0.9968 3.9405 3.9747 2.1466 3.9388 3.8481 1.0489 1.0008 3.2870 1.0052 4.0480 0.9969 0.9804 4.0181 0.9804 1.0107 3.2876 0.9928 3.8461 1.0273 1.0008 3.9476 3.8435 0.9887 3.8291 0.9884 3.8232 0.9882 3.8501 0.9892 2.2059 4.3763 2.2870 3.8861 1.0052 1.0290 1.0095 4.0398 4.0913 3.7611 3.7567 2.0778 4.0796 4.0253 4.0288 0.9977 4.0623 1.0571 4.1184 0.9915 1.0212 4.1261 0.9928 0.9908 0.9745 0.9810 0.9746 0.9817 0.9795 0.9828 1.0092 0.9827 1.0048 0.9796 4.3312 2.3220 2.2707 0.8715</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="88">2.4343 2.2975 2.1618 3.9490 3.9520 3.8744 0.9952 0.9880 3.3095 0.9822 4.0637 0.9928 0.9774 4.0198 0.9790 0.9946 3.3338 0.9842 3.8672 0.9941 0.9968 3.9405 3.9747 2.1466 3.9388 3.8481 1.0489 1.0008 3.2870 1.0052 4.0480 0.9969 0.9804 4.0181 0.9804 1.0107 3.2876 0.9928 3.8461 1.0273 1.0008 3.9476 3.8435 0.9887 3.8291 0.9884 3.8232 0.9882 3.8501 0.9892 2.2059 4.3763 2.2870 3.8861 1.0052 1.0290 1.0095 4.0398 4.0913 3.7611 3.7567 2.0778 4.0796 4.0253 4.0288 0.9977 4.0623 1.0571 4.1184 0.9915 1.0212 4.1261 0.9928 0.9908 0.9745 0.9810 0.9746 0.9817 0.9795 0.9828 1.0092 0.9827 1.0048 0.9796 4.3312 2.3220 2.2707 0.8715</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="88">-0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="99">0.4092 0.4208 0.4400 0.3601 0.5762 0.3082 0.3475 0.3821 0.3900 0.4083 0.1765 1.2290 1.2860 1.2861 1.0505 1.3950 0.9104 0.9198 0.9328 0.9034 0.9942 0.9342 0.9396 1.0926 0.9350 0.9361 0.9855 1.0685 0.9003 0.9323 0.9183 0.9075 1.0481 1.2932 1.3942 1.2231 1.2867 1.0434 1.3967 0.8865 0.9000 0.9566 0.8732 0.9921 0.9255 0.9228 1.0940 0.9236 0.9265 0.9787 1.0861 0.8941 0.9415 0.8984 0.9076 1.0384 1.4063 0.9761 1.3392 0.9763 1.3368 0.9773 1.3305 0.9754 1.3412 1.1092 0.8830 2.0481 1.0610 0.9464 0.9173 0.9301 0.9166 0.9283 0.9144 0.9254 0.9809 0.9805 0.9820 0.4671 0.9974 1.0632 0.8772 1.0744 0.8842 1.0856 0.9172 0.9079 1.0984 0.9145 0.9133 1.0994 0.9260 0.9275 0.9280 0.9262 1.9717 1.8060 0.1840</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="99">0 2 0 8 0 16 0 23 0 87 1 2 1 23 1 28 1 36 1 61 1 86 2 3 3 4 3 41 4 5 4 44 5 6 5 7 5 8 8 9 8 10 10 11 10 12 10 57 13 14 13 15 13 16 13 57 16 17 16 18 18 19 18 20 18 21 21 22 21 46 22 23 22 24 24 25 24 48 25 26 25 27 25 28 28 29 28 30 30 31 30 32 30 58 33 34 33 35 33 36 33 58 36 37 36 38 38 39 38 40 38 41 41 42 42 43 42 59 44 45 44 59 46 47 46 60 48 49 48 60 50 51 50 63 51 52 51 53 53 54 53 55 53 56 57 79 57 80 58 81 58 82 59 78 60 83 61 62 61 84 62 63 62 64 62 65 63 66 63 67 64 68 64 69 64 70 66 71 66 72 66 73 68 71 68 74 68 75 71 76 71 77 84 85 84 86 85 86</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="88">0.609468 0.755462 -0.445507 0.237018 -0.163960 0.170744 0.023669 0.062612 -0.309608 0.169021 0.050547 0.044543 0.049174 0.060974 0.043678 0.041042 -0.317568 0.168573 0.191819 0.059971 0.020486 -0.145252 0.194431 -0.451673 -0.129914 0.164014 0.059074 0.015367 -0.319126 0.157602 0.054803 0.038406 0.032682 0.072671 0.029796 0.032685 -0.323816 0.159485 0.167474 0.061418 0.016113 -0.133987 -0.060693 -0.001213 -0.055692 -0.003011 -0.057341 -0.001640 -0.058696 -0.000664 -0.277214 0.087511 -0.216625 -0.013949 0.047565 0.092418 0.065243 -0.021302 -0.019371 -0.031818 -0.028317 -0.485067 0.140623 0.032966 0.027819 -0.008622 0.051714 0.032702 -0.039120 0.020322 0.022718 -0.028157 0.011460 0.024966 0.025066 0.012016 0.025939 0.023233 0.004348 0.044252 0.044522 0.040280 0.038754 0.006188 0.227197 -0.220092 -0.250994 -0.544635</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="256">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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263</array>
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               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
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                  </list>
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                  <bond atomRefs2="a47 a61" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a61" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a51 a64" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a58 a81" order="S"/>
                  <bond atomRefs2="a58 a80" order="S"/>
                  <bond atomRefs2="a59 a83" order="S"/>
                  <bond atomRefs2="a59 a82" order="S"/>
                  <bond atomRefs2="a60 a79" order="S"/>
                  <bond atomRefs2="a61 a84" order="S"/>
                  <bond atomRefs2="a62 a85" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a63 a65" order="S"/>
                  <bond atomRefs2="a63 a66" order="S"/>
                  <bond atomRefs2="a64 a67" order="S"/>
                  <bond atomRefs2="a64 a68" order="S"/>
                  <bond atomRefs2="a65 a69" order="S"/>
                  <bond atomRefs2="a65 a70" order="S"/>
                  <bond atomRefs2="a65 a71" order="S"/>
                  <bond atomRefs2="a67 a72" order="S"/>
                  <bond atomRefs2="a67 a73" order="S"/>
                  <bond atomRefs2="a67 a74" order="S"/>
                  <bond atomRefs2="a69 a72" order="S"/>
                  <bond atomRefs2="a69 a76" order="S"/>
                  <bond atomRefs2="a69 a75" order="S"/>
                  <bond atomRefs2="a72 a78" order="S"/>
                  <bond atomRefs2="a72 a77" order="S"/>
                  <bond atomRefs2="a85 a87" order="S"/>
                  <bond atomRefs2="a85 a86" order="S"/>
               </bondArray>
               <formula concise="C31H43IN4O7Zn2">
                  <atomArray count="31 43 1 4 7 2" elementType="C H I N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">798.0767700000004</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C22H30N4O2.C9H13O5.HI.2Zn/c27-21-17-5-1-6-18(21)14-24-10-4-12-26-16-20-8-2-7-19(22(20)28)15-25-11-3-9-23-13-17;1-6(10)13-7-4-2-3-5-8(7)14-9(11)12;;;/h1-2,5-8,23-26H,3-4,9-16H2;7-8H,2-5H2,1H3;1H;;/q;;;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:60,61,58,59,45,43,47,49,11,34,14,31,6,39,19,26,5,42,22,25,4,23,9,37,17,29,3,24;54,72,69,67,65,52,64,63,85,53,86,87,51,62;88;2;1/E:(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);(11,12);;;/CRV:1.3,2.3,5.3,6.3,7.3,8.3,17.3,18.3,19.3,20.3,21.3,22.3,27.1,28.1;6.3,9.3,10.1,11.1,12.1;;;/rA:88ZnZnO3C3C3CHHN4HCHHCHHN4HCHHC3C3O3C3CHHN4HCHHCHHN4HCHHC3C3HC3HC3HC3HOC3O1CHHHCCC3C3O3CCCHCHCHHCHHHHHHHHHHHHC3O1O1I/rB:;s1s2;s3;s4;s5;s6;s6;s1s6;s9;s9;s11;s11;;s14;s14;s1s14;s17;s17;s19;s19;s19;s22;s1s2s23;s23;s25;s26;s26;s2s26;s29;s29;s31;s31;;s34;s34;s2s34;s37;s37;s39;s39;s4s39;s42;s43;s5;s45;s22;s47;s25;s49;;s51;s52;s52;s54;s54;s54;s11s14;s31s34;s43s45;s47s49;s2;s62;s51s63;s63;s63;s64;s64;s65;s65;s65;s67s69;s67;s67;s69;s69;s72;s72;s60;s58;s58;s59;s59;s61;s62;s85;s85;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-5808.34298185</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">9213.95199716</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-15022.29497901</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-26522.15109955</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">11499.85612054</scalar>
                  <scalar dataType="xsd:double" dictRef="o:cpcmener" units="nonsi:hartree">-0.02669817</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11402.69523678</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">5594.35225492</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.03825121</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">198.999970223954</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">198.999970223954</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">397.999940447909</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-421.035303755428</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-16.061940932902</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-437.097244688330</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">393.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">841.37</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-5807.81470253</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00124506</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-5807.81345747</scalar>
               </module>
               <module cmlx:templateRef="cpcm" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="technical">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Epsilon</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">3.0473</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Refrac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Rsolv</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.3000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Surface type</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">GEPOL SES</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Epsilon function type</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">CPCM</scalar>
                     </list>
                  </list>
                  <list cmlx:templateRef="radii">
                     <array dataType="xsd:string" dictRef="cc:elementType" size="6">Zn O C H N I</array>
                     <array dataType="xsd:double"
                            dictRef="o:radius"
                            size="6"
                            units="nonsi:angstrom">2.1000 2.2940 1.8500 1.2000 1.8900 1.9800</array>
                  </list>
                  <list cmlx:templateRef="parameters" dictRef="parameters">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Solvent:</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DIBUTYLETHER</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Soln</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.3992</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Soln25</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.3968</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Sola</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Solb</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.4500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Solg</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">35.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Solc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Solh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Calculating surface</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">done! (  1.9s)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">GEPOL surface points</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">3055</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">GEPOL Volume</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">4986.8142</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">GEPOL Surface-area</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1932.2566</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Calculating surface distance matrix</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">done! (  0.4s)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Performing Cholesky decomposition &amp; store</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">done! (  1.5s)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Overall time for CPCM initialization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">3.8s</scalar>
                     </list>
                  </list>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="891">0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890</array>
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                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="891"
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1.9526 2.0102 2.0239 2.0761 2.2824 2.3545 2.4027 2.4415 2.4936 2.5572 2.6596 2.6748 2.7291 2.8215 2.9147 2.9581 3.0224 3.0393 3.1314 3.1979 3.2346 3.3349 3.4027 3.4623 3.5269 3.5599 3.5725 3.6937 3.7799 3.7890 3.8888 3.9019 4.0558 4.0940 4.1665 4.2542 4.2997 4.3301 4.4547 4.4748 4.5299 4.8506 4.9830 4.9901 5.0795 5.1866 5.2716 5.3170 5.3593 5.5256 5.5596 5.6662 5.7599 5.9181 5.9557 6.1470 6.1502 6.2178 6.3709 6.3969 6.4516 6.5910 6.6494 6.7254 6.8100 6.8865 7.0501 7.1019 7.3285 7.6114 7.8116 7.9271 7.9671 8.1038 8.2225 8.3545 8.4388 8.5560 8.5996 8.9092 9.2139 9.2535 9.5944 9.8360 10.0573 10.1496 10.2329 10.2804 10.3493 10.4514 10.5392 10.6752 10.7495 10.7743 10.7946 10.9497 11.0721 11.1286 11.1571 11.1859 11.2697 11.3388 11.4298 11.5616 11.6210 11.7057 11.8110 11.8627 12.0274 12.0972 12.1358 12.2709 12.3698 12.4343 12.5276 12.5690 12.6156 12.6826 12.7590 12.9041 13.0321 13.1543 13.1887 13.3330 13.5534 13.6234 13.7884 13.8667 14.0125 14.0473 14.1367 14.3131 14.4164 14.4400 14.5638 14.7041 14.7841 14.9007 14.9492 15.0866 15.1868 15.2910 15.3956 15.4182 15.4858 15.5908 15.7529 15.7889 15.8330 15.8701 15.9359 16.0398 16.0518 16.1618 16.2004 16.2511 16.2716 16.2978 16.3991 16.4904 16.5338 16.5571 16.6596 16.7010 16.7846 16.8015 16.8928 16.9712 17.0717 17.1298 17.1538 17.2342 17.2872 17.4221 17.4511 17.4843 17.5375 17.6304 17.7005 17.7291 17.7750 17.8308 17.8567 17.9072 17.9803 18.0269 18.0520 18.1147 18.1709 18.2774 18.3261 18.3824 18.4997 18.5127 18.6006 18.7216 18.7800 18.9034 18.9631 19.0762 19.2079 19.3721 19.4573 19.5319 19.5968 19.6376 19.6808 19.8109 19.9100 19.9835 20.1575 20.3187 20.3587 20.4827 20.6001 20.7259 20.8512 20.9496 21.0917 21.3206 21.4012 21.4689 21.7056 21.8176 21.9403 22.3520 22.4822 22.5148 22.7536 22.9436 22.9642 23.3007 23.5332 23.6565 23.7231 23.9415 24.2539 24.3554 24.4844 24.6310 24.8598 24.9586 25.1132 25.3854 25.5338 25.6881 25.7883 26.3224 26.4146 26.4967 26.6537 26.8590 27.0479 27.1298 27.2775 27.4570 27.4732 27.7342 28.1136 28.2653 28.4269 28.5760 28.6169 28.7835 28.9627 29.2350 29.4637 29.6342 29.8199 30.1130 30.2430 30.4224 30.6045 30.7229 30.8529 30.8817 31.1228 31.3184 31.3648 31.6246 31.7801 31.9290 32.0709 32.1541 32.2438 32.4122 32.7027 32.8196 32.8958 33.0625 33.1560 33.2407 33.3320 33.4108 33.5513 33.5945 33.6894 33.7695 33.8679 34.0524 34.2143 34.3899 34.6300 34.7458 34.8206 35.0005 35.3117 35.4478 35.6635 35.7561 35.9158 36.2492 36.4760 36.7836 36.8819 36.9955 37.4286 37.6788 37.8143 38.0597 38.2964 38.4102 38.5085 38.7957 38.8761 38.9663 39.1954 39.4052 39.6688 39.7588 39.8353 40.0550 40.1619 40.4043 40.5456 40.6775 40.8176 41.0082 41.3215 41.5217 41.6839 41.8672 42.1128 42.2454 42.4686 42.5862 42.8037 42.9316 43.0866 43.3353 43.5880 43.7157 43.8416 43.9874 44.1131 44.2370 44.3800 44.4462 44.4787 44.5152 44.5978 44.7098 44.8296 45.0066 45.0269 45.1609 45.3034 45.3599 45.4662 45.5566 45.6080 45.6767 45.7845 45.8892 45.9634 46.0433 46.0760 46.1747 46.2086 46.3056 46.4239 46.6052 46.6201 46.7138 46.8225 46.8763 46.9954 47.0297 47.0727 47.0942 47.1464 47.1954 47.2479 47.2926 47.4828 47.5471 47.5542 47.6129 47.7064 47.8099 48.0313 48.1322 48.2245 48.3105 48.3950 48.4686 48.5567 48.6530 48.7690 48.8262 48.9864 49.0452 49.2104 49.2710 49.3595 49.4477 49.5039 49.6137 49.7071 49.7478 49.8532 49.9151 50.0118 50.1275 50.1749 50.2972 50.4172 50.4846 50.6346 50.7252 50.8372 50.9486 51.0051 51.0743 51.1135 51.3302 51.4241 51.4768 51.5842 51.6852 51.8304 51.8712 51.9158 51.9772 52.2226 52.3745 52.5070 52.7791 52.9106 53.0625 53.1812 53.4245 53.5706 53.7128 53.8138 53.8782 53.9734 54.0631 54.1210 54.2729 54.4009 54.5631 54.8521 54.8708 55.0562 55.1554 55.2070 55.4027 55.6429 55.6991 55.8970 56.1921 56.4914 56.5211 56.6076 56.7799 56.8517 56.9557 57.1504 57.2253 57.3301 57.5208 57.6348 57.7827 58.0064 58.2542 58.3799 58.6199 58.7222 58.7991 58.9636 59.0264 59.2526 59.3454 59.6254 59.7219 59.8548 59.8922 60.2541 60.3122 60.6003 60.7277 60.7414 60.7971 60.9649 61.0678 61.2036 61.4309 61.6160 61.9925 62.1224 62.4938 62.7728 63.0441 63.2698 63.3489 63.6473 63.8156 63.8465 63.9811 64.2749 64.3795 64.6115 64.7367 65.0443 65.2779 65.3879 65.4256 65.5151 65.7188 65.7504 66.1643 66.2500 66.2920 66.5300 66.7678 66.9839 67.1046 67.3506 67.7075 67.8374 67.9591 68.0075 68.2131 68.4689 68.5890 68.7874 68.8855 69.0410 69.2834 69.4246 69.6068 69.7117 69.8659 70.0559 70.2093 70.3056 70.5806 70.6912 70.9121 71.2182 71.4770 71.6331 71.6767 71.8743 71.9477 72.0915 72.2802 72.3085 72.3983 72.4595 72.6404 72.7014 72.9077 73.0053 73.1425 73.2287 73.4521 73.6503 73.8196 73.9200 74.1930 74.5334 74.5837 74.9350 75.2550 75.3464 75.4419 75.7195 76.2891 76.3435 76.6394 76.7606 76.9703 77.1226 77.3256 77.4744 77.6421 77.7649 77.8522 77.9464 78.0461 78.0826 78.2767 78.3605 78.6047 78.6969 78.8435 78.9581 79.1638 79.3810 79.4284 79.6814 79.7837 79.9071 80.0328 80.1513 80.3920 80.5755 80.6615 80.8495 81.1169 81.1680 81.4482 81.6025 81.8479 82.0515 82.2858 82.4470 82.7168 83.0417 83.3609 83.5836 84.8111 85.6239 87.3095 88.1787 88.3187 88.5935 88.9422 89.1029 89.8305 90.0490 90.1287 91.0649 91.3656 91.9111 93.4482 95.7693 96.4205 96.7296 96.8389 97.1712 102.3282 174.4632 174.4647 174.5065 174.5513 174.6146 174.8331 174.8468 174.9011 174.9303 175.0277 175.0957 175.1441 175.2501 175.2989 507.2770 509.3273 512.1310 1529.2270</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="88">0.617981 0.767114 -0.448437 0.253002 -0.163264 0.167607 0.023916 0.066877 -0.313048 0.172353 0.050722 0.046104 0.050507 0.057946 0.046455 0.043117 -0.317049 0.170642 0.183916 0.062460 0.021325 -0.141984 0.198708 -0.452816 -0.131855 0.163780 0.060507 0.017040 -0.323329 0.162550 0.052406 0.043302 0.035841 0.070044 0.032886 0.031049 -0.323439 0.161508 0.160313 0.065489 0.017400 -0.135112 -0.060158 -0.000735 -0.055939 -0.002864 -0.055846 -0.001174 -0.057120 -0.000047 -0.275671 0.092677 -0.219258 -0.021755 0.047265 0.096120 0.058786 -0.018645 -0.018182 -0.032151 -0.029026 -0.478470 0.133603 0.041418 0.031130 -0.012248 0.048954 0.039022 -0.038696 0.023346 0.026248 -0.028797 0.011664 0.027208 0.025683 0.011341 0.026234 0.024767 0.004771 0.045845 0.046313 0.042165 0.040795 0.006745 0.220302 -0.255473 -0.268935 -0.565742</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="88">0.510446 0.632345 -0.273380 0.034332 -0.094270 0.029948 0.030217 0.039709 -0.047073 0.089805 0.023156 0.034855 0.032983 0.022144 0.030769 0.034481 -0.038935 0.087556 0.031857 0.038416 0.029829 -0.091405 0.024203 -0.288867 -0.081226 0.021268 0.028205 0.028548 -0.046343 0.061124 0.020248 0.026545 0.026768 0.018550 0.024948 0.028489 -0.043045 0.075065 0.023703 0.035672 0.027296 -0.083878 -0.034512 0.034303 -0.039322 0.033180 -0.037823 0.034297 -0.034283 0.034721 -0.077301 0.072389 -0.174550 -0.095013 0.045148 0.059669 0.047532 -0.060909 -0.055311 -0.077663 -0.073763 -0.236174 0.039630 0.047419 -0.053536 0.011013 -0.046243 0.021304 -0.046506 0.025251 0.030444 -0.044084 0.025849 0.035178 0.031990 0.023553 0.031750 0.031666 0.034479 0.049962 0.037491 0.048762 0.033466 0.035477 0.030633 -0.216067 -0.223927 -0.474626</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="88">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="88">Zn Zn O C C C H H N H C H H C H H N H C H H C C O C C H H N H C H H C H H N H C H H C C H C H C H C H O C O C H H H C C C C O C C C H C H C H H C H H H H H H H H H H H H C O O I</array>
                     <array dataType="xsd:double" dictRef="o:na" size="88">29.3820 29.2329 8.4484 5.7470 6.1633 5.8324 0.9761 0.9331 7.3130 0.8276 5.9493 0.9539 0.9495 5.9421 0.9535 0.9569 7.3170 0.8294 5.8161 0.9375 0.9787 6.1420 5.8013 8.4528 6.1319 5.8362 0.9395 0.9830 7.3233 0.8375 5.9476 0.9567 0.9642 5.9300 0.9671 0.9690 7.3234 0.8385 5.8397 0.9345 0.9826 6.1351 6.0602 1.0007 6.0559 1.0029 6.0558 1.0012 6.0571 1.0000 8.2757 5.9073 8.2193 6.0218 0.9527 0.9039 0.9412 6.0186 6.0182 6.0322 6.0290 8.4785 5.8664 5.9586 5.9689 1.0122 5.9510 0.9610 6.0387 0.9767 0.9738 6.0288 0.9883 0.9728 0.9743 0.9887 0.9738 0.9752 0.9952 0.9542 0.9537 0.9578 0.9592 0.9933 5.7797 8.2555 8.2689 25.5657</array>
                     <array dataType="xsd:double" dictRef="o:za" size="88">30.0000 30.0000 8.0000 6.0000 6.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 6.0000 8.0000 6.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 7.0000 1.0000 6.0000 1.0000 1.0000 6.0000 6.0000 1.0000 6.0000 1.0000 6.0000 1.0000 6.0000 1.0000 8.0000 6.0000 8.0000 6.0000 1.0000 1.0000 1.0000 6.0000 6.0000 6.0000 6.0000 8.0000 6.0000 6.0000 6.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 8.0000 8.0000 25.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="88">0.6180 0.7671 -0.4484 0.2530 -0.1633 0.1676 0.0239 0.0669 -0.3130 0.1724 0.0507 0.0461 0.0505 0.0579 0.0465 0.0431 -0.3170 0.1706 0.1839 0.0625 0.0213 -0.1420 0.1987 -0.4528 -0.1319 0.1638 0.0605 0.0170 -0.3233 0.1625 0.0524 0.0433 0.0358 0.0700 0.0329 0.0310 -0.3234 0.1615 0.1603 0.0655 0.0174 -0.1351 -0.0602 -0.0007 -0.0559 -0.0029 -0.0558 -0.0012 -0.0571 -0.0000 -0.2757 0.0927 -0.2193 -0.0218 0.0473 0.0961 0.0588 -0.0186 -0.0182 -0.0322 -0.0290 -0.4785 0.1336 0.0414 0.0311 -0.0122 0.0490 0.0390 -0.0387 0.0233 0.0262 -0.0288 0.0117 0.0272 0.0257 0.0113 0.0262 0.0248 0.0048 0.0458 0.0463 0.0422 0.0408 0.0067 0.2203 -0.2555 -0.2689 -0.5657</array>
                     <array dataType="xsd:double" dictRef="o:va" size="88">2.4167 2.2861 2.1643 3.9470 3.9579 3.8706 0.9962 0.9889 3.3186 0.9801 4.0563 0.9933 0.9778 4.0246 0.9792 0.9948 3.3358 0.9836 3.8678 0.9938 0.9970 3.9413 3.9678 2.1451 3.9455 3.8420 1.0542 1.0021 3.2927 1.0023 4.0458 0.9961 0.9802 4.0210 0.9807 1.0122 3.2896 0.9919 3.8500 1.0260 1.0003 3.9543 3.8462 0.9887 3.8302 0.9883 3.8233 0.9882 3.8476 0.9893 2.2078 4.3940 2.2895 3.8793 1.0049 1.0430 1.0053 4.0421 4.0911 3.7625 3.7584 2.0709 4.0762 4.0188 4.0233 1.0011 4.0569 1.0629 4.1200 0.9944 1.0325 4.1191 0.9925 0.9841 0.9745 0.9809 0.9746 0.9819 0.9795 0.9829 1.0061 0.9827 1.0039 0.9796 4.3580 2.2730 2.2500 0.8382</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="88">2.4167 2.2861 2.1643 3.9470 3.9579 3.8706 0.9962 0.9889 3.3186 0.9801 4.0563 0.9933 0.9778 4.0246 0.9792 0.9948 3.3358 0.9836 3.8678 0.9938 0.9970 3.9413 3.9678 2.1451 3.9455 3.8420 1.0542 1.0021 3.2927 1.0023 4.0458 0.9961 0.9802 4.0210 0.9807 1.0122 3.2896 0.9919 3.8500 1.0260 1.0003 3.9543 3.8462 0.9887 3.8302 0.9883 3.8233 0.9882 3.8476 0.9893 2.2078 4.3940 2.2895 3.8793 1.0049 1.0430 1.0053 4.0421 4.0911 3.7625 3.7584 2.0709 4.0762 4.0188 4.0233 1.0011 4.0569 1.0629 4.1200 0.9944 1.0325 4.1191 0.9925 0.9841 0.9745 0.9809 0.9746 0.9819 0.9795 0.9829 1.0061 0.9827 1.0039 0.9796 4.3580 2.2730 2.2500 0.8382</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="88">-0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="99">0.3958 0.4393 0.4498 0.3596 0.5489 0.3327 0.3378 0.4007 0.3951 0.3989 0.1329 1.2174 1.2885 1.2871 1.0493 1.3966 0.9102 0.9197 0.9277 0.9038 0.9877 0.9337 0.9393 1.0905 0.9359 0.9354 0.9818 1.0734 0.9005 0.9302 0.9198 0.9074 1.0458 1.2949 1.3930 1.2186 1.2853 1.0474 1.3980 0.8872 0.9005 0.9454 0.8760 0.9874 0.9261 0.9237 1.0944 0.9239 0.9253 0.9798 1.0873 0.8936 0.9409 0.8986 0.9077 1.0390 1.4057 0.9757 1.3407 0.9759 1.3359 0.9765 1.3331 0.9750 1.3414 1.1124 0.8889 2.0475 1.0603 0.9444 0.9109 0.9324 0.9148 0.9285 0.9139 0.9257 0.9807 0.9802 0.9556 0.5186 1.0032 1.0677 0.8789 1.0724 0.8821 1.0863 0.9121 0.9027 1.0943 0.9144 0.9172 1.0988 0.9255 0.9275 0.9276 0.9265 1.9231 1.8292 0.1729</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="99">0 2 0 8 0 16 0 23 0 87 1 2 1 23 1 28 1 36 1 61 1 86 2 3 3 4 3 41 4 5 4 44 5 6 5 7 5 8 8 9 8 10 10 11 10 12 10 57 13 14 13 15 13 16 13 57 16 17 16 18 18 19 18 20 18 21 21 22 21 46 22 23 22 24 24 25 24 48 25 26 25 27 25 28 28 29 28 30 30 31 30 32 30 58 33 34 33 35 33 36 33 58 36 37 36 38 38 39 38 40 38 41 41 42 42 43 42 59 44 45 44 59 46 47 46 60 48 49 48 60 50 51 50 63 51 52 51 53 53 54 53 55 53 56 57 79 57 80 58 81 58 82 59 78 60 83 61 62 61 84 62 63 62 64 62 65 63 66 63 67 64 68 64 69 64 70 66 71 66 72 66 73 68 71 68 74 68 75 71 76 71 77 84 85 84 86 85 86</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dftd3" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispcorr" units="nonsi:hartree">-0.252859609</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-5808.597906626410</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">170.12770 -171.77787 -1.65017 -121.57032 124.23768 2.66736 171.56753 -173.78170 -2.21417</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">3.83932</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">9.75879</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">393.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">841.37</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-5808.59790663</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.70718339</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.07175046</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalrotcorrection"
                             units="nonsi:hartree">0.00186754</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltrasncorrection"
                             units="nonsi:hartree">0.00186754</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltotal"
                             units="nonsi:hartree">-5807.81523769</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.07548554</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.70718339</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.78266893</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-5807.81523769</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00124506</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-5807.81399263</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
