<?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">2021-10-29T13:13:06.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
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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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                        xFract="0.0000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a2"
                        x3="3.49979492"
                        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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                        x3="6.12464119"
                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="8.74948736"
                        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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                        id="a7"
                        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"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a13"
                        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"/>
                  <atom elementType="Cd"
                        id="a15"
                        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"/>
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                        id="a17"
                        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"/>
                  <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"/>
                  <atom elementType="Cd"
                        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="0.90536064"
                        xFract="0.00531033"
                        y3="1.4715598"
                        yFract="0.16183909"
                        z3="5.64474"
                        zFract="0.282237"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.51100543"
                        xFract="0.33374577"
                        y3="0.01191676"
                        yFract="0.00131058"
                        z3="5.7125608"
                        zFract="0.28562804"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.50103248"
                        xFract="0.16650133"
                        y3="3.03606153"
                        yFract="0.33389974"
                        z3="5.7306368"
                        zFract="0.28653184"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.11394279"
                        xFract="0.49937652"
                        y3="1.5082638"
                        yFract="0.16587572"
                        z3="5.7240724"
                        zFract="0.28620362"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.99482228"
                        xFract="0.83338403"
                        y3="9.08426459"
                        yFract="0.99906855"
                        z3="5.729604"
                        zFract="0.2864802"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.72955973"
                        xFract="0.66661748"
                        y3="2.99729011"
                        yFract="0.32963574"
                        z3="5.6383778"
                        zFract="0.28191889"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="13.98698098"
                        xFract="0.99824248"
                        y3="6.07265498"
                        yFract="0.66785798"
                        z3="5.7208572"
                        zFract="0.28604286"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.07792003"
                        xFract="0.3289123"
                        y3="4.54584218"
                        yFract="0.49994228"
                        z3="5.6689006"
                        zFract="0.28344503"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.10812114"
                        xFract="0.16428211"
                        y3="7.5920291"
                        yFract="0.83495559"
                        z3="5.6951462"
                        zFract="0.28475731"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.75525703"
                        xFract="0.49893685"
                        y3="6.09114987"
                        yFract="0.66989201"
                        z3="5.7125954"
                        zFract="0.28562977"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.4090016"
                        xFract="0.83491727"
                        y3="4.5776091"
                        yFract="0.50343594"
                        z3="5.63022"
                        zFract="0.281511"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37997636"
                        xFract="0.6657828"
                        y3="7.60312542"
                        yFract="0.83617594"
                        z3="5.710084"
                        zFract="0.2855042"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="10.49969775"
                        xFract="0.99939038"
                        y3="0.01162815"
                        yFract="0.00127884"
                        z3="8.6316946"
                        zFract="0.43158473"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62737478"
                        xFract="0.16705673"
                        y3="1.51274179"
                        yFract="0.1663682"
                        z3="8.61752"
                        zFract="0.430876"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.23062975"
                        xFract="0.33185861"
                        y3="3.02471234"
                        yFract="0.33265158"
                        z3="8.5440658"
                        zFract="0.42720329"/>
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                        id="a40"
                        x3="5.2479341"
                        xFract="0.49950357"
                        y3="0.00598229"
                        yFract="0.00065792"
                        z3="8.6365576"
                        zFract="0.43182788"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87814278"
                        xFract="0.66686573"
                        y3="1.51807814"
                        yFract="0.16695508"
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                  <atom elementType="Cd"
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                        id="a43"
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                        xFract="0.99866058"
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                        yFract="0.50144511"
                        z3="8.6268778"
                        zFract="0.43134389"/>
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                        id="a44"
                        x3="5.21710434"
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                        y3="6.08272918"
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                        z3="8.446819"
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                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
               </bondArray>
               <formula concise="C3H6Cd48">
                  <atomArray count="3 6 48" elementType="C H Cd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5431.760100000001</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">594.0000</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="3">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Cd H C</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">112.41 1.00 12.01</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">12.00 1.00 4.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">48 6 3</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="a44"
                        x3="5.25042677"
                        xFract="0.16673274"
                        y3="6.06189293"
                        yFract="0.66667439"
                        z3="8.57461743"
                        zFract="0.42873087"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.86966629"
                        xFract="0.33286015"
                        y3="7.57744422"
                        yFract="0.83335157"
                        z3="8.54922056"
                        zFract="0.42746103"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.8725564"
                        xFract="0.49992609"
                        y3="4.5442778"
                        yFract="0.49977023"
                        z3="8.75476227"
                        zFract="0.43773811"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49555415"
                        xFract="0.66647951"
                        y3="6.0585912"
                        yFract="0.66631127"
                        z3="8.54856932"
                        zFract="0.42742847"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12339778"
                        xFract="0.83325989"
                        y3="7.57717055"
                        yFract="0.83332148"
                        z3="8.57902732"
                        zFract="0.42895137"/>
                  <atom elementType="H"
                        id="a49"
                        x3="9.02825186"
                        xFract="0.70759087"
                        y3="2.76951972"
                        yFract="0.30458603"
                        z3="12.53789153"
                        zFract="0.62689458"/>
                  <atom elementType="H"
                        id="a50"
                        x3="10.25265417"
                        xFract="0.76304657"
                        y3="3.88175898"
                        yFract="0.42690779"
                        z3="13.22394837"
                        zFract="0.66119742"/>
                  <atom elementType="H"
                        id="a51"
                        x3="10.31845535"
                        xFract="0.79260018"
                        y3="3.45828376"
                        yFract="0.38033486"
                        z3="11.50992013"
                        zFract="0.57549601"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.82836779"
                        xFract="0.3370498"
                        y3="5.69767165"
                        yFract="0.62661809"
                        z3="11.71695456"
                        zFract="0.58584773"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.86275276"
                        xFract="0.44017159"
                        y3="3.88191013"
                        yFract="0.42692441"
                        z3="12.14127177"
                        zFract="0.60706359"/>
                  <atom elementType="H"
                        id="a54"
                        x3="9.26463162"
                        xFract="0.56395318"
                        y3="5.79106012"
                        yFract="0.63688876"
                        z3="11.81560133"
                        zFract="0.59078007"/>
                  <atom elementType="C"
                        id="a55"
                        x3="7.41412105"
                        xFract="0.44184206"
                        y3="4.80652977"
                        yFract="0.52861216"
                        z3="11.95005807"
                        zFract="0.5975029"/>
                  <atom elementType="C"
                        id="a56"
                        x3="8.75321898"
                        xFract="0.5674017"
                        y3="4.84255448"
                        yFract="0.53257408"
                        z3="12.0173306"
                        zFract="0.60086653"/>
                  <atom elementType="C"
                        id="a57"
                        x3="9.62451981"
                        xFract="0.71472557"
                        y3="3.67253839"
                        yFract="0.40389814"
                        z3="12.34235584"
                        zFract="0.61711779"/>
               </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 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="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 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" 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 a47" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" 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 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
               </bondArray>
               <formula concise="C3H6Cd48">
                  <atomArray count="3 6 48" elementType="C H Cd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5431.760100000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
