<?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">2021-11-03T08:39:00.000</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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                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="3.49979497"
                        xFract="0.16666667"
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                        xFract="0.5000"
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                        yFract="0.16666667"
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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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                        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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                        id="a11"
                        x3="11.37433357"
                        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"
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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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                        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"/>
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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="11.37149753"
                        xFract="0.99971896"
                        y3="1.51565429"
                        yFract="0.16668851"
                        z3="5.7694596"
                        zFract="0.28847298"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.49940366"
                        xFract="0.33316726"
                        y3="0.00234238"
                        yFract="0.00025761"
                        z3="5.7696434"
                        zFract="0.28848217"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49350894"
                        xFract="0.1660881"
                        y3="3.03054515"
                        yFract="0.33329306"
                        z3="5.7312694"
                        zFract="0.28656347"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.1224033"
                        xFract="0.49988453"
                        y3="1.51367943"
                        yFract="0.16647132"
                        z3="5.768359"
                        zFract="0.28841795"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.99711246"
                        xFract="0.83318719"
                        y3="9.09181093"
                        yFract="0.99989848"
                        z3="5.7695084"
                        zFract="0.28847542"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75066134"
                        xFract="0.66707803"
                        y3="3.02546385"
                        yFract="0.33273423"
                        z3="5.7124714"
                        zFract="0.28562357"/>
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                        id="a31"
                        x3="13.99264676"
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                        y3="6.06210686"
                        yFract="0.66669792"
                        z3="5.7290218"
                        zFract="0.28645109"/>
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                        id="a32"
                        x3="6.11748759"
                        xFract="0.33270882"
                        y3="4.54533371"
                        yFract="0.49988636"
                        z3="5.7221752"
                        zFract="0.28610876"/>
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                        id="a33"
                        x3="6.12469364"
                        xFract="0.16634463"
                        y3="7.58322561"
                        yFract="0.8339874"
                        z3="5.7315802"
                        zFract="0.28657901"/>
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                        id="a34"
                        x3="8.75228933"
                        xFract="0.49981266"
                        y3="6.07008264"
                        yFract="0.66757508"
                        z3="5.7198466"
                        zFract="0.28599233"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37142493"
                        xFract="0.83302357"
                        y3="4.54696222"
                        yFract="0.50006546"
                        z3="5.7693156"
                        zFract="0.28846578"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37157943"
                        xFract="0.66630986"
                        y3="7.57899667"
                        yFract="0.83352231"
                        z3="5.769634"
                        zFract="0.2884817"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.24947919"
                        xFract="0.00003007"
                        y3="9.09181784"
                        yFract="0.99989924"
                        z3="8.5921622"
                        zFract="0.42960811"/>
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                        id="a38"
                        x3="2.62568669"
                        xFract="0.1666723"
                        y3="1.51680897"
                        yFract="0.1668155"
                        z3="8.593551"
                        zFract="0.42967755"/>
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                        id="a39"
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                        xFract="0.3328734"
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                        yFract="0.33340369"
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                        id="a40"
                        x3="10.49643696"
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                        y3="9.09258745"
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                        z3="8.6057842"
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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 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C4H8Cd48O">
                  <atomArray count="4 8 48 1" elementType="C H Cd O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5459.770200000001</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="4">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cd H C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">112.41 1.00 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">12.00 1.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 8 4 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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                        x3="5.24958363"
                        xFract="0.00004082"
                        y3="9.09180333"
                        yFract="0.99989764"
                        z3="8.59214495"
                        zFract="0.42960725"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.6256435"
                        xFract="0.16666707"
                        y3="1.51682933"
                        yFract="0.16681774"
                        z3="8.59347351"
                        zFract="0.42967368"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24521598"
                        xFract="0.33286652"
                        y3="3.03164704"
                        yFract="0.33341424"
                        z3="8.56132632"
                        zFract="0.42806632"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.49649663"
                        xFract="0.49973185"
                        y3="9.09260779"
                        yFract="0.99998612"
                        z3="8.60589153"
                        zFract="0.43029458"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87478459"
                        xFract="0.66664947"
                        y3="1.51619433"
                        yFract="0.1667479"
                        z3="8.58072534"
                        zFract="0.42903627"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49599551"
                        xFract="0.83300994"
                        y3="3.03092186"
                        yFract="0.33333449"
                        z3="8.58942506"
                        zFract="0.42947125"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62533294"
                        xFract="0.00003597"
                        y3="4.5465559"
                        yFract="0.50002077"
                        z3="8.58155332"
                        zFract="0.42907767"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24413449"
                        xFract="0.16593555"
                        y3="6.0654917"
                        yFract="0.66707018"
                        z3="8.5326768"
                        zFract="0.42663384"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87400546"
                        xFract="0.3333314"
                        y3="7.57638997"
                        yFract="0.83323563"
                        z3="8.57885668"
                        zFract="0.42894283"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.8757247"
                        xFract="0.50013732"
                        y3="4.54592407"
                        yFract="0.49995129"
                        z3="8.46242042"
                        zFract="0.42312102"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49789785"
                        xFract="0.66654131"
                        y3="6.06152676"
                        yFract="0.66663412"
                        z3="8.5920182"
                        zFract="0.42960091"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12439332"
                        xFract="0.83337496"
                        y3="7.5768023"
                        yFract="0.83328098"
                        z3="8.59306421"
                        zFract="0.42965321"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.92583788"
                        xFract="0.13802893"
                        y3="6.02168078"
                        yFract="0.66225194"
                        z3="12.96770948"
                        zFract="0.64838547"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.80595521"
                        xFract="0.21775006"
                        y3="4.36427178"
                        yFract="0.47997355"
                        z3="13.58019028"
                        zFract="0.67900951"/>
                  <atom elementType="H"
                        id="a51"
                        x3="4.30918343"
                        xFract="0.15037054"
                        y3="4.72916596"
                        yFract="0.52010385"
                        z3="11.90166945"
                        zFract="0.59508347"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.69249815"
                        xFract="0.34757268"
                        y3="5.27097491"
                        yFract="0.57969087"
                        z3="11.29494925"
                        zFract="0.56474746"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.57026854"
                        xFract="0.42602563"
                        y3="3.63256339"
                        yFract="0.39950178"
                        z3="11.88034033"
                        zFract="0.59401702"/>
                  <atom elementType="H"
                        id="a54"
                        x3="9.10067017"
                        xFract="0.65518882"
                        y3="3.84790767"
                        yFract="0.42318489"
                        z3="12.19865561"
                        zFract="0.60993278"/>
                  <atom elementType="H"
                        id="a55"
                        x3="9.69161307"
                        xFract="0.65182369"
                        y3="4.93264734"
                        yFract="0.54248231"
                        z3="13.51552036"
                        zFract="0.67577602"/>
                  <atom elementType="H"
                        id="a56"
                        x3="9.14916013"
                        xFract="0.56400322"
                        y3="5.59014767"
                        yFract="0.61479283"
                        z3="11.93101591"
                        zFract="0.5965508"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.04009328"
                        xFract="0.20705656"
                        y3="4.96427718"
                        yFract="0.54596089"
                        z3="12.69006316"
                        zFract="0.63450316"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.45515792"
                        xFract="0.35722533"
                        y3="4.68435159"
                        yFract="0.51517526"
                        z3="12.20333923"
                        zFract="0.61016696"/>
                  <atom elementType="C"
                        id="a59"
                        x3="7.54983257"
                        xFract="0.44641449"
                        y3="4.95843707"
                        yFract="0.54531861"
                        z3="13.22107877"
                        zFract="0.66105394"/>
                  <atom elementType="C"
                        id="a60"
                        x3="8.96685006"
                        xFract="0.58898415"
                        y3="4.82008745"
                        yFract="0.53010321"
                        z3="12.7006057"
                        zFract="0.63503029"/>
                  <atom elementType="O"
                        id="a61"
                        x3="7.30673605"
                        xFract="0.4057137"
                        y3="5.27754451"
                        yFract="0.58041338"
                        z3="14.38037988"
                        zFract="0.71901899"/>
               </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 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 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 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 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 a35" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a31" 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 a36" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" 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 a36" 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 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" 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 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C4H8Cd48O">
                  <atomArray count="4 8 48 1" elementType="C H Cd O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5459.770200000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
