<?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:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <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">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-04-01T14:50:14.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.499384869541027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
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                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a2"
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                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="3.49979497"
                        xFract="0.16666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a6"
                        x3="8.74948741"
                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="3.49979497"
                        xFract="0.0000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a8"
                        x3="6.12464114"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        x3="5.24969238"
                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="0.90058075"
                        xFract="0.00439888"
                        y3="1.47985592"
                        yFract="0.16275148"
                        z3="5.7540016"
                        zFract="0.28770008"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.77666087"
                        xFract="0.33664955"
                        y3="9.07949291"
                        yFract="0.99854377"
                        z3="5.744292"
                        zFract="0.2872146"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.51185357"
                        xFract="0.16836527"
                        y3="3.02090757"
                        yFract="0.33223314"
                        z3="5.7111632"
                        zFract="0.28555816"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.15947379"
                        xFract="0.50410531"
                        y3="1.50113055"
                        yFract="0.16509122"
                        z3="5.7246018"
                        zFract="0.28623009"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.03254001"
                        xFract="0.83822747"
                        y3="9.06151339"
                        yFract="0.99656642"
                        z3="5.7638926"
                        zFract="0.28819463"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.77382892"
                        xFract="0.67037699"
                        y3="3.00559814"
                        yFract="0.33054944"
                        z3="5.7255692"
                        zFract="0.28627846"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.52761918"
                        xFract="0.00347933"
                        y3="6.04674241"
                        yFract="0.66500817"
                        z3="5.7943302"
                        zFract="0.28971651"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.13479819"
                        xFract="0.33415724"
                        y3="4.54897635"
                        yFract="0.50028697"
                        z3="5.7663004"
                        zFract="0.28831502"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.13928421"
                        xFract="0.16946146"
                        y3="7.55181621"
                        yFract="0.83053306"
                        z3="5.7914364"
                        zFract="0.28957182"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.77628735"
                        xFract="0.50325098"
                        y3="6.04912098"
                        yFract="0.66526976"
                        z3="5.7036654"
                        zFract="0.28518327"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.40045426"
                        xFract="0.83682411"
                        y3="4.5281279"
                        yFract="0.4979941"
                        z3="5.755635"
                        zFract="0.28778175"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.41024808"
                        xFract="0.67144132"
                        y3="7.55265474"
                        yFract="0.83062528"
                        z3="5.7448092"
                        zFract="0.28724046"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.28650548"
                        xFract="0.00554984"
                        y3="9.05556965"
                        yFract="0.99591274"
                        z3="8.6482196"
                        zFract="0.43241098"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.65951834"
                        xFract="0.17104601"
                        y3="1.49586913"
                        yFract="0.16451258"
                        z3="8.560013"
                        zFract="0.42800065"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.27356867"
                        xFract="0.33557525"
                        y3="3.03149588"
                        yFract="0.33339762"
                        z3="8.4411482"
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                        id="a40"
                        x3="10.53917633"
                        xFract="0.50466517"
                        y3="9.07681655"
                        yFract="0.99824943"
                        z3="8.5543522"
                        zFract="0.42771761"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.91382499"
                        xFract="0.67146733"
                        y3="1.49619929"
                        yFract="0.16454889"
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                        yFract="0.33078507"
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                  <atom elementType="Cd"
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                        x3="2.66557669"
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                        y3="4.5357487"
                        yFract="0.49883222"
                        z3="8.6026154"
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                  <atom elementType="Cd"
                        id="a44"
                        x3="5.2822367"
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                  <bond atomRefs2="a4 a5" order="S"/>
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                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
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                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a58" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a51 a58" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO">
                  <atomArray count="3 7 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5461.766200000001</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">606.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Cd H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">112.41 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 7 3 1 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
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                        xFract="0.00497733"
                        y3="9.06131682"
                        yFract="0.9965448"
                        z3="8.64320455"
                        zFract="0.43216023"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.65737758"
                        xFract="0.17086834"
                        y3="1.49539223"
                        yFract="0.16446013"
                        z3="8.56335531"
                        zFract="0.42816777"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.27464267"
                        xFract="0.33586129"
                        y3="3.02815432"
                        yFract="0.33303012"
                        z3="8.4400296"
                        zFract="0.42200148"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.53528008"
                        xFract="0.50443524"
                        y3="9.07424947"
                        yFract="0.99796711"
                        z3="8.55776532"
                        zFract="0.42788827"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.90956329"
                        xFract="0.67119158"
                        y3="1.49383245"
                        yFract="0.16428859"
                        z3="8.54837413"
                        zFract="0.42741871"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.5320282"
                        xFract="0.83764874"
                        y3="3.00897351"
                        yFract="0.33092066"
                        z3="8.56245349"
                        zFract="0.42812267"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.66755081"
                        xFract="0.0047365"
                        y3="4.5341981"
                        yFract="0.49866169"
                        z3="8.59241428"
                        zFract="0.42962071"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.28516177"
                        xFract="0.17114264"
                        y3="6.04185973"
                        yFract="0.66447118"
                        z3="8.98566216"
                        zFract="0.44928311"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.89804745"
                        xFract="0.33714321"
                        y3="7.54871233"
                        yFract="0.8301917"
                        z3="8.53253995"
                        zFract="0.426627"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.89710964"
                        xFract="0.50290971"
                        y3="4.53254659"
                        yFract="0.49848006"
                        z3="8.46304824"
                        zFract="0.42315241"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.53661602"
                        xFract="0.6711482"
                        y3="6.04481015"
                        yFract="0.66479566"
                        z3="8.53941383"
                        zFract="0.42697069"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.16794565"
                        xFract="0.83884035"
                        y3="7.55284651"
                        yFract="0.83064637"
                        z3="8.65258759"
                        zFract="0.43262938"/>
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                        id="a49"
                        x3="4.98415915"
                        xFract="0.29341405"
                        y3="3.296945"
                        yFract="0.36259116"
                        z3="11.36357091"
                        zFract="0.56817855"/>
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                        id="a50"
                        x3="4.74913728"
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                        y3="3.76757154"
                        yFract="0.41434969"
                        z3="13.05804807"
                        zFract="0.6529024"/>
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                        id="a51"
                        x3="6.11664205"
                        xFract="0.4344584"
                        y3="2.69350541"
                        yFract="0.29622613"
                        z3="12.61520675"
                        zFract="0.63076034"/>
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                        id="a52"
                        x3="8.01051887"
                        xFract="0.39386644"
                        y3="6.7119801"
                        yFract="0.73816963"
                        z3="11.88439981"
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                        id="a53"
                        x3="9.35515416"
                        xFract="0.58321522"
                        y3="5.5975606"
                        yFract="0.61560809"
                        z3="11.512814"
                        zFract="0.5756407"/>
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                        id="a54"
                        x3="9.03897225"
                        xFract="0.52641693"
                        y3="6.08282099"
                        yFract="0.66897602"
                        z3="13.21399866"
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                        id="a55"
                        x3="7.98928081"
                        xFract="0.54915174"
                        y3="3.85125887"
                        yFract="0.42355345"
                        z3="12.73387094"
                        zFract="0.63669355"/>
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                        id="a56"
                        x3="6.32290946"
                        xFract="0.33793601"
                        y3="4.80607593"
                        yFract="0.52856225"
                        z3="12.05381607"
                        zFract="0.6026908"/>
                  <atom elementType="C"
                        id="a57"
                        x3="8.57093524"
                        xFract="0.49509562"
                        y3="5.84174966"
                        yFract="0.64246349"
                        z3="12.24723706"
                        zFract="0.61236185"/>
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                        id="a58"
                        x3="5.51208662"
                        xFract="0.32956498"
                        y3="3.55392074"
                        yFract="0.39085282"
                        z3="12.29532647"
                        zFract="0.61476632"/>
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                        id="a59"
                        x3="7.63631743"
                        xFract="0.46672779"
                        y3="4.73882639"
                        yFract="0.52116628"
                        z3="12.39321715"
                        zFract="0.61966086"/>
                  <atom elementType="O"
                        id="a60"
                        x3="5.80633312"
                        xFract="0.23208894"
                        y3="5.83621794"
                        yFract="0.64185513"
                        z3="11.57506796"
                        zFract="0.5787534"/>
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               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a58" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a51 a58" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO">
                  <atomArray count="3 7 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5461.766200000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
