<?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">2022-04-05T09:37:24.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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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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                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.33333333"
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                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
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                        zFract="0.0000"/>
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                        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"/>
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                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="0.0000"
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                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        xFract="0.5000"
                        y3="0.0000"
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                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        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"/>
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                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a25"
                        x3="11.36854133"
                        xFract="0.99927508"
                        y3="1.51860615"
                        yFract="0.16701315"
                        z3="5.7237168"
                        zFract="0.28618584"/>
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                        id="a26"
                        x3="8.75361398"
                        xFract="0.33380708"
                        y3="9.09126618"
                        yFract="0.99983857"
                        z3="5.7697546"
                        zFract="0.28848773"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.50143393"
                        xFract="0.16636894"
                        y3="3.03916442"
                        yFract="0.33424099"
                        z3="5.7584786"
                        zFract="0.28792393"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.1226031"
                        xFract="0.49962373"
                        y3="1.51876827"
                        yFract="0.16703098"
                        z3="5.7123968"
                        zFract="0.28561984"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.75019265"
                        xFract="0.83304743"
                        y3="0.00642083"
                        yFract="0.00070615"
                        z3="5.7682842"
                        zFract="0.28841421"/>
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                        id="a30"
                        x3="8.74246269"
                        xFract="0.66532872"
                        y3="3.04307539"
                        yFract="0.33467111"
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                        zFract="0.28830003"/>
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                        y3="6.06040106"
                        yFract="0.66651032"
                        z3="5.7413164"
                        zFract="0.28706582"/>
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                        id="a32"
                        x3="6.13245489"
                        xFract="0.33376623"
                        y3="4.55202833"
                        yFract="0.50062262"
                        z3="5.7848532"
                        zFract="0.28924266"/>
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                        id="a33"
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                        xFract="0.16668775"
                        y3="7.58110854"
                        yFract="0.83375457"
                        z3="5.7141088"
                        zFract="0.28570544"/>
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                        xFract="0.49964424"
                        y3="6.06217269"
                        yFract="0.66670516"
                        z3="5.770509"
                        zFract="0.28852545"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37293238"
                        xFract="0.83273061"
                        y3="4.55490081"
                        yFract="0.50093853"
                        z3="5.733217"
                        zFract="0.28666085"/>
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                        id="a36"
                        x3="11.36906566"
                        xFract="0.66597408"
                        y3="7.58074902"
                        yFract="0.83371503"
                        z3="5.7685438"
                        zFract="0.28842719"/>
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                        id="a37"
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                        xFract="0.00048403"
                        y3="9.09092829"
                        yFract="0.99980141"
                        z3="8.55217"
                        zFract="0.4276085"/>
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                        id="a38"
                        x3="2.62502192"
                        xFract="0.16661971"
                        y3="1.51661393"
                        yFract="0.16679405"
                        z3="8.5756296"
                        zFract="0.42878148"/>
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                        y3="3.03435491"
                        yFract="0.33371205"
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                        id="a40"
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                        y3="0.00330466"
                        yFract="0.00036344"
                        z3="8.5783824"
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                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
               </bondArray>
               <formula concise="C2H5Cd48NO2">
                  <atomArray count="2 5 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5465.754900000001</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 5 2 1 2</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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                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62500358"
                        xFract="0.16665861"
                        y3="1.51587481"
                        yFract="0.16671276"
                        z3="8.5759566"
                        zFract="0.42879783"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25984426"
                        xFract="0.33408115"
                        y3="3.03489547"
                        yFract="0.3337715"
                        z3="8.54461515"
                        zFract="0.42723076"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25079532"
                        xFract="0.49988738"
                        y3="0.00395826"
                        yFract="0.00043532"
                        z3="8.57977499"
                        zFract="0.42898875"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87164853"
                        xFract="0.66581274"
                        y3="1.52597893"
                        yFract="0.16782399"
                        z3="8.54220603"
                        zFract="0.4271103"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49850047"
                        xFract="0.83276654"
                        y3="3.03968692"
                        yFract="0.33429845"
                        z3="8.48422961"
                        zFract="0.42421148"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.6263273"
                        xFract="0.00005856"
                        y3="4.54786744"
                        yFract="0.50016501"
                        z3="8.576861"
                        zFract="0.42884305"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25562146"
                        xFract="0.16717867"
                        y3="6.06278106"
                        yFract="0.66677207"
                        z3="8.55066016"
                        zFract="0.42753301"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87387045"
                        xFract="0.33333107"
                        y3="7.57616206"
                        yFract="0.83321057"
                        z3="8.57555707"
                        zFract="0.42877785"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.88227626"
                        xFract="0.49969092"
                        y3="4.56538976"
                        yFract="0.50209208"
                        z3="8.83034865"
                        zFract="0.44151743"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49891013"
                        xFract="0.66660918"
                        y3="6.06204579"
                        yFract="0.6666912"
                        z3="8.58100788"
                        zFract="0.42905039"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12553395"
                        xFract="0.83348057"
                        y3="7.57685743"
                        yFract="0.83328704"
                        z3="8.57841388"
                        zFract="0.42892069"/>
                  <atom elementType="H"
                        id="a49"
                        x3="9.52459111"
                        xFract="0.7483307"
                        y3="2.88833168"
                        yFract="0.31765272"
                        z3="11.35883947"
                        zFract="0.56794197"/>
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                        id="a50"
                        x3="8.86661847"
                        xFract="0.74634072"
                        y3="1.78487834"
                        yFract="0.19629721"
                        z3="12.53058495"
                        zFract="0.62652925"/>
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                        id="a51"
                        x3="4.8952647"
                        xFract="0.29832196"
                        y3="3.05372274"
                        yFract="0.33584208"
                        z3="13.65877529"
                        zFract="0.68293876"/>
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                        id="a52"
                        x3="5.074569"
                        xFract="0.28502228"
                        y3="3.60614777"
                        yFract="0.39659664"
                        z3="11.94738757"
                        zFract="0.59736938"/>
                  <atom elementType="H"
                        id="a53"
                        x3="5.67342528"
                        xFract="0.28510226"
                        y3="4.64194281"
                        yFract="0.51051123"
                        z3="13.28146346"
                        zFract="0.66407317"/>
                  <atom elementType="C"
                        id="a54"
                        x3="7.71348829"
                        xFract="0.54628034"
                        y3="3.42579005"
                        yFract="0.37676127"
                        z3="12.09452608"
                        zFract="0.6047263"/>
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                        id="a55"
                        x3="5.52437498"
                        xFract="0.32795472"
                        y3="3.60448803"
                        yFract="0.39641411"
                        z3="12.95124615"
                        zFract="0.64756231"/>
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                        id="a56"
                        x3="8.86605431"
                        xFract="0.69549561"
                        y3="2.70854326"
                        yFract="0.29787996"
                        z3="12.11295155"
                        zFract="0.60564758"/>
                  <atom elementType="O"
                        id="a57"
                        x3="7.52327228"
                        xFract="0.47200664"
                        y3="4.44702807"
                        yFract="0.48907491"
                        z3="11.42332899"
                        zFract="0.57116645"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.784857"
                        xFract="0.48695095"
                        y3="2.89628613"
                        yFract="0.31852753"
                        z3="12.93415616"
                        zFract="0.64670781"/>
               </atomArray>
               <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 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" 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 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" 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 a20" order="S"/>
                  <bond atomRefs2="a15 a19" 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="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 a24" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a35" 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 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a40" 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 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
               </bondArray>
               <formula concise="C2H5Cd48NO2">
                  <atomArray count="2 5 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5465.754900000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
