<?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">2022-04-04T20:13:41.000</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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                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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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"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="3.49979497"
                        xFract="0.0000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a8"
                        x3="6.12464114"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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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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                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        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"/>
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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"/>
                  <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="11.3707779"
                        xFract="0.99974053"
                        y3="1.51401559"
                        yFract="0.16650829"
                        z3="5.7688046"
                        zFract="0.28844023"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.75319737"
                        xFract="0.3339203"
                        y3="9.08848562"
                        yFract="0.99953277"
                        z3="5.7659434"
                        zFract="0.28829717"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49910443"
                        xFract="0.16639683"
                        y3="3.03462242"
                        yFract="0.33374147"
                        z3="5.712263"
                        zFract="0.28561315"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.1284469"
                        xFract="0.50065853"
                        y3="1.51007171"
                        yFract="0.16607455"
                        z3="5.7088192"
                        zFract="0.28544096"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.0053413"
                        xFract="0.83403595"
                        y3="9.0906286"
                        yFract="0.99976845"
                        z3="5.7638452"
                        zFract="0.28819226"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75395873"
                        xFract="0.66679972"
                        y3="3.03623629"
                        yFract="0.33391896"
                        z3="5.7548208"
                        zFract="0.28774104"/>
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                        id="a31"
                        x3="3.50646182"
                        xFract="0.00090886"
                        y3="6.05684198"
                        yFract="0.6661189"
                        z3="5.757964"
                        zFract="0.2878982"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.13665338"
                        xFract="0.33416351"
                        y3="4.55207561"
                        yFract="0.50062782"
                        z3="5.7734742"
                        zFract="0.28867371"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.13018229"
                        xFract="0.16734181"
                        y3="7.57459806"
                        yFract="0.83303856"
                        z3="5.7251176"
                        zFract="0.28625588"/>
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                        id="a34"
                        x3="8.75249627"
                        xFract="0.50045806"
                        y3="6.05870418"
                        yFract="0.6663237"
                        z3="5.7680418"
                        zFract="0.28840209"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37357405"
                        xFract="0.83348913"
                        y3="4.54221818"
                        yFract="0.49954372"
                        z3="5.7580822"
                        zFract="0.28790411"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37094652"
                        xFract="0.66668525"
                        y3="7.5710738"
                        yFract="0.83265097"
                        z3="5.748593"
                        zFract="0.28742965"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.25064373"
                        xFract="0.00023589"
                        y3="9.09009195"
                        yFract="0.99970943"
                        z3="8.579085"
                        zFract="0.42895425"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62696184"
                        xFract="0.16673684"
                        y3="1.51784391"
                        yFract="0.16692932"
                        z3="8.5782028"
                        zFract="0.42891014"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25090475"
                        xFract="0.33331213"
                        y3="3.03339672"
                        yFract="0.33360667"
                        z3="8.4576712"
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                        id="a40"
                        x3="5.25303812"
                        xFract="0.50029921"
                        y3="0.00035362"
                        yFract="0.00003889"
                        z3="8.5496438"
                        zFract="0.42748219"/>
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                        y3="1.52436849"
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                        xFract="0.00014666"
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                        yFract="0.49990424"
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                        zFract="0.42895102"/>
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                        id="a44"
                        x3="5.25373696"
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                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
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                  <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 a59" 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 a60" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" 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>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-22.8885 -16.6732 -13.5968 -12.5592 -10.0642 -9.5766 -9.5756 -9.5743 -9.4798 -9.4792 -9.4776 -9.4249 -9.3486 -9.3452 -9.3441 -9.3213 -9.3206 -9.3195 -9.3131 -9.2588 -9.2568 -9.2534 -9.1845 -9.1641 -9.1578 -9.1554 -9.1524 -9.1428 -9.1408 -9.1386 -9.1370 -9.1358 -9.1342 -9.1158 -9.1144 -9.1101 -9.1078 -9.1071 -9.1035 -9.0835 -9.0829 -9.0488 -9.0459 -9.0436 -9.0400 -9.0338 -9.0279 -9.0009 -8.9978 -8.9913 -8.9868 -8.9849 -8.9837 -8.9814 -8.9800 -8.9777 -8.9759 -8.9540 -8.9525 -8.9501 -8.9329 -8.9321 -8.9309 -8.9293 -8.9257 -8.9243 -8.9221 -8.9192 -8.8869 -8.8868 -8.8838 -8.8822 -8.8783 -8.8723 -8.8715 -8.8692 -8.8674 -8.8659 -8.8571 -8.8530 -8.8506 -8.8505 -8.8474 -8.8467 -8.8456 -8.8430 -8.8416 -8.8407 -8.8396 -8.8386 -8.8376 -8.8373 -8.8364 -8.8358 -8.8287 -8.8157 -8.8144 -8.7884 -8.7882 -8.7691 -8.7555 -8.7522 -8.7499 -8.7481 -8.7469 -8.7438 -8.7399 -8.7226 -8.7225 -8.7111 -8.7103 -8.7074 -8.7061 -8.6998 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                        id="a37"
                        x3="5.24947723"
                        xFract="0.00015648"
                        y3="9.08951558"
                        yFract="0.99964604"
                        z3="8.57982863"
                        zFract="0.42899143"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62608864"
                        xFract="0.1666522"
                        y3="1.51787076"
                        yFract="0.16693227"
                        z3="8.57793052"
                        zFract="0.42889653"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24994909"
                        xFract="0.33330535"
                        y3="3.03186474"
                        yFract="0.33343819"
                        z3="8.46224058"
                        zFract="0.42311203"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25293404"
                        xFract="0.50026517"
                        y3="0.00079236"
                        yFract="0.00008714"
                        z3="8.54938025"
                        zFract="0.42746901"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87589171"
                        xFract="0.66636896"
                        y3="1.52321318"
                        yFract="0.16751982"
                        z3="8.52630054"
                        zFract="0.42631503"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49671146"
                        xFract="0.83298168"
                        y3="3.03267584"
                        yFract="0.33352739"
                        z3="8.5958905"
                        zFract="0.42979453"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62586033"
                        xFract="0.00015035"
                        y3="4.54538925"
                        yFract="0.49989247"
                        z3="8.57952697"
                        zFract="0.42897635"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25268147"
                        xFract="0.16697257"
                        y3="6.06143678"
                        yFract="0.66662423"
                        z3="8.57804178"
                        zFract="0.42890209"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87379313"
                        xFract="0.33329961"
                        y3="7.57660027"
                        yFract="0.83325876"
                        z3="8.57847263"
                        zFract="0.42892363"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.88719543"
                        xFract="0.50043174"
                        y3="4.56043782"
                        yFract="0.50154748"
                        z3="8.74262886"
                        zFract="0.43713144"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49886358"
                        xFract="0.66660751"
                        y3="6.06199559"
                        yFract="0.66668568"
                        z3="8.59244774"
                        zFract="0.42962239"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12521393"
                        xFract="0.83341305"
                        y3="7.57753097"
                        yFract="0.83336112"
                        z3="8.57897718"
                        zFract="0.42894886"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.21407932"
                        xFract="0.19830717"
                        y3="3.69269084"
                        yFract="0.40611447"
                        z3="13.76669732"
                        zFract="0.68833487"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.48117149"
                        xFract="0.19932745"
                        y3="4.13675378"
                        yFract="0.45495159"
                        z3="12.05872854"
                        zFract="0.60293643"/>
                  <atom elementType="H"
                        id="a51"
                        x3="5.39476683"
                        xFract="0.24065751"
                        y3="4.96754087"
                        yFract="0.54631983"
                        z3="13.33298639"
                        zFract="0.66664932"/>
                  <atom elementType="H"
                        id="a52"
                        x3="7.90231899"
                        xFract="0.61358962"
                        y3="2.5288035"
                        yFract="0.27811256"
                        z3="11.73073135"
                        zFract="0.58653657"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.57311676"
                        xFract="0.47173932"
                        y3="2.80617195"
                        yFract="0.30861696"
                        z3="13.89347842"
                        zFract="0.69467392"/>
                  <atom elementType="H"
                        id="a54"
                        x3="4.79689274"
                        xFract="0.39110608"
                        y3="1.19601481"
                        yFract="0.13153522"
                        z3="13.27018799"
                        zFract="0.6635094"/>
                  <atom elementType="H"
                        id="a55"
                        x3="6.3104045"
                        xFract="0.5564739"
                        y3="0.81020296"
                        yFract="0.08910444"
                        z3="12.40813188"
                        zFract="0.62040659"/>
                  <atom elementType="H"
                        id="a56"
                        x3="4.97941724"
                        xFract="0.38500116"
                        y3="1.62317728"
                        yFract="0.17851367"
                        z3="11.54833183"
                        zFract="0.57741659"/>
                  <atom elementType="C"
                        id="a57"
                        x3="4.9742121"
                        xFract="0.25390957"
                        y3="3.99812375"
                        yFract="0.43970535"
                        z3="13.03360729"
                        zFract="0.65168036"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.06104884"
                        xFract="0.41595966"
                        y3="2.93362336"
                        yFract="0.3226338"
                        z3="12.91777643"
                        zFract="0.64588882"/>
                  <atom elementType="C"
                        id="a59"
                        x3="7.16236083"
                        xFract="0.4987988"
                        y3="3.33468332"
                        yFract="0.36674154"
                        z3="11.96975781"
                        zFract="0.59848789"/>
                  <atom elementType="C"
                        id="a60"
                        x3="5.50773775"
                        xFract="0.43899544"
                        y3="1.55634411"
                        yFract="0.17116349"
                        z3="12.51269407"
                        zFract="0.6256347"/>
                  <atom elementType="O"
                        id="a61"
                        x3="7.27576444"
                        xFract="0.44854978"
                        y3="4.44490605"
                        yFract="0.48884153"
                        z3="11.46025531"
                        zFract="0.57301277"/>
               </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 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 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" 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 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a40" 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 a46" order="S"/>
                  <bond atomRefs2="a44 a45" 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 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a59" 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 a60" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" 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>
