<?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">2022-04-05T19:33:03.000</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"/>
                  <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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                        xFract="0.83333333"
                        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"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        x3="5.24969238"
                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        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"/>
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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"/>
                  <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="0.87542816"
                        xFract="0.00269295"
                        y3="1.46731349"
                        yFract="0.16137209"
                        z3="5.7632314"
                        zFract="0.28816157"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.74326715"
                        xFract="0.33509555"
                        y3="9.04991352"
                        yFract="0.99529069"
                        z3="5.7839838"
                        zFract="0.28919919"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49631159"
                        xFract="0.16895526"
                        y3="2.98325884"
                        yFract="0.32809261"
                        z3="5.7576398"
                        zFract="0.28788199"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.11426601"
                        xFract="0.50133037"
                        y3="1.47329197"
                        yFract="0.16202959"
                        z3="5.7729964"
                        zFract="0.28864982"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00604198"
                        xFract="0.83658473"
                        y3="9.04549145"
                        yFract="0.99480436"
                        z3="5.7560438"
                        zFract="0.28780219"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75283535"
                        xFract="0.66941839"
                        y3="2.98666879"
                        yFract="0.32846763"
                        z3="5.7175716"
                        zFract="0.28587858"/>
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                        id="a31"
                        x3="3.49354364"
                        xFract="0.00127068"
                        y3="6.02788717"
                        yFract="0.66293451"
                        z3="5.7487012"
                        zFract="0.28743506"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.113268"
                        xFract="0.33449682"
                        y3="4.50550954"
                        yFract="0.49550658"
                        z3="5.6942956"
                        zFract="0.28471478"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12796929"
                        xFract="0.16902979"
                        y3="7.54006831"
                        yFract="0.82924105"
                        z3="5.768582"
                        zFract="0.2884291"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.73734151"
                        xFract="0.49980328"
                        y3="6.04436284"
                        yFract="0.66474647"
                        z3="5.7957004"
                        zFract="0.28978502"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.36348351"
                        xFract="0.83480453"
                        y3="4.50081969"
                        yFract="0.4949908"
                        z3="5.7181048"
                        zFract="0.28590524"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.36966255"
                        xFract="0.66780062"
                        y3="7.54856638"
                        yFract="0.83017565"
                        z3="5.7196404"
                        zFract="0.28598202"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.24393966"
                        xFract="0.00189944"
                        y3="9.04822772"
                        yFract="0.99510529"
                        z3="8.6252356"
                        zFract="0.43126178"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.61208952"
                        xFract="0.16834941"
                        y3="1.46275894"
                        yFract="0.16087119"
                        z3="8.6186734"
                        zFract="0.43093367"/>
                  <atom elementType="Cd"
                        id="a39"
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                        xFract="0.33436171"
                        y3="2.99039181"
                        yFract="0.32887708"
                        z3="8.5689216"
                        zFract="0.42844608"/>
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                        id="a40"
                        x3="10.47600242"
                        xFract="0.50071541"
                        y3="9.03922437"
                        yFract="0.99411512"
                        z3="8.576265"
                        zFract="0.42881325"/>
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                        xFract="0.66785765"
                        y3="1.47495112"
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                        yFract="0.32796843"
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                        y3="4.50142326"
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                        x3="5.24208731"
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                  <bond atomRefs2="a4 a5" order="S"/>
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                  <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 a60" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO">
                  <atomArray count="3 7 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5461.766200000001</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">606.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Cd H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">112.41 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 7 3 1 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-23.8954 -18.3596 -15.6325 -12.5132 -11.1675 -9.5975 -9.5971 -9.5960 -9.5012 -9.5007 -9.4991 -9.4470 -9.3711 -9.3637 -9.3630 -9.3453 -9.3429 -9.3415 -9.3351 -9.2824 -9.2807 -9.2772 -9.2150 -9.1901 -9.1865 -9.1842 -9.1792 -9.1662 -9.1650 -9.1626 -9.1590 -9.1567 -9.1543 -9.1406 -9.1386 -9.1356 -9.1321 -9.1304 -9.1273 -9.1222 -9.1076 -9.1045 -9.0733 -9.0710 -9.0668 -9.0649 -9.0517 -9.0507 -9.0257 -9.0226 -9.0166 -9.0094 -9.0083 -9.0070 -9.0047 -9.0030 -8.9985 -8.9966 -8.9806 -8.9730 -8.9689 -8.9573 -8.9558 -8.9529 -8.9506 -8.9500 -8.9451 -8.9430 -8.9346 -8.9110 -8.9102 -8.9079 -8.9070 -8.9058 -8.8995 -8.8939 -8.8909 -8.8884 -8.8858 -8.8831 -8.8788 -8.8746 -8.8743 -8.8704 -8.8694 -8.8676 -8.8661 -8.8653 -8.8650 -8.8628 -8.8614 -8.8604 -8.8587 -8.8574 -8.8534 -8.8371 -8.8353 -8.8297 -8.8112 -8.8105 -8.7856 -8.7799 -8.7769 -8.7753 -8.7724 -8.7713 -8.7655 -8.7640 -8.7457 -8.7456 -8.7322 -8.7319 -8.7293 -8.7283 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                        xFract="0.00179587"
                        y3="9.04817741"
                        yFract="0.99509976"
                        z3="8.62560026"
                        zFract="0.43128001"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.61245832"
                        xFract="0.16832731"
                        y3="1.46379963"
                        yFract="0.16098564"
                        z3="8.61764738"
                        zFract="0.43088237"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.2382065"
                        xFract="0.33438482"
                        y3="2.9918953"
                        yFract="0.32904243"
                        z3="8.56737218"
                        zFract="0.42836861"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.47511107"
                        xFract="0.50056269"
                        y3="9.04045787"
                        yFract="0.99425078"
                        z3="8.57850192"
                        zFract="0.4289251"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.86326374"
                        xFract="0.66775137"
                        y3="1.47620102"
                        yFract="0.16234952"
                        z3="8.57788865"
                        zFract="0.42889443"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.48734317"
                        xFract="0.83478492"
                        y3="2.98365669"
                        yFract="0.32813637"
                        z3="8.55051841"
                        zFract="0.42752592"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.61111621"
                        xFract="0.00105289"
                        y3="4.50343868"
                        yFract="0.49527883"
                        z3="8.56047602"
                        zFract="0.4280238"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24294438"
                        xFract="0.16832193"
                        y3="6.02003289"
                        yFract="0.66207071"
                        z3="8.50296515"
                        zFract="0.42514826"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.83938699"
                        xFract="0.33185776"
                        y3="7.54322785"
                        yFract="0.82958853"
                        z3="8.90773369"
                        zFract="0.44538668"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.85918104"
                        xFract="0.50070118"
                        y3="4.50701554"
                        yFract="0.49567221"
                        z3="8.4543829"
                        zFract="0.42271914"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.48474128"
                        xFract="0.66767848"
                        y3="6.01805887"
                        yFract="0.66185361"
                        z3="8.47135938"
                        zFract="0.42356797"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.11039486"
                        xFract="0.83417434"
                        y3="7.53801912"
                        yFract="0.82901568"
                        z3="8.57454218"
                        zFract="0.42872711"/>
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                        id="a49"
                        x3="9.99366607"
                        xFract="0.54319997"
                        y3="7.43119166"
                        yFract="0.81726702"
                        z3="11.09228427"
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                        xFract="0.28241379"
                        y3="6.03218107"
                        yFract="0.66340674"
                        z3="11.69610248"
                        zFract="0.58480512"/>
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                        id="a51"
                        x3="7.05023586"
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                        yFract="0.55102305"
                        z3="13.85212619"
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                        id="a52"
                        x3="8.70766101"
                        xFract="0.51792774"
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                        yFract="0.62284379"
                        z3="13.75688151"
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                        id="a53"
                        x3="7.63220793"
                        xFract="0.54463804"
                        y3="3.31487416"
                        yFract="0.36456297"
                        z3="12.05013339"
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                        id="a54"
                        x3="8.71119854"
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                        y3="3.16275081"
                        yFract="0.34783276"
                        z3="13.46254269"
                        zFract="0.67312713"/>
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                        id="a55"
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                        xFract="0.66535253"
                        y3="3.97634556"
                        yFract="0.43731022"
                        z3="11.97823562"
                        zFract="0.59891178"/>
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                        id="a56"
                        x3="7.48090327"
                        xFract="0.37912285"
                        y3="6.06277813"
                        yFract="0.66677174"
                        z3="12.05813086"
                        zFract="0.60290654"/>
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                        id="a57"
                        x3="7.90806488"
                        xFract="0.46869014"
                        y3="5.17382064"
                        yFract="0.56900605"
                        z3="13.18298177"
                        zFract="0.65914909"/>
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                        id="a58"
                        x3="8.41344096"
                        xFract="0.59110771"
                        y3="3.82293678"
                        yFract="0.42043865"
                        z3="12.63506976"
                        zFract="0.63175349"/>
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                        id="a59"
                        x3="8.22597883"
                        xFract="0.40706733"
                        y3="6.84510337"
                        yFract="0.75281025"
                        z3="11.36321966"
                        zFract="0.56816098"/>
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                        id="a60"
                        x3="9.56348474"
                        xFract="0.53257896"
                        y3="6.8792439"
                        yFract="0.75656495"
                        z3="11.78775324"
                        zFract="0.58938766"/>
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               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 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 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a32" 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 a30" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a35" 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 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a41" 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="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" 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 a60" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO">
                  <atomArray count="3 7 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5461.766200000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
