<?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">2022-04-05T19:47:32.000</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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                        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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                        yFract="0.16666667"
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                        yFract="0.0000"
                        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"
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                        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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                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
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                        y3="0.0000"
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                        z3="2.8901584"
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                        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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                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a25"
                        x3="11.36487064"
                        xFract="0.99923787"
                        y3="1.51292501"
                        yFract="0.16638835"
                        z3="5.7694616"
                        zFract="0.28847308"/>
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                        id="a26"
                        x3="8.74408427"
                        xFract="0.3329934"
                        y3="9.08955738"
                        yFract="0.99965064"
                        z3="5.768547"
                        zFract="0.28842735"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.47625199"
                        xFract="0.16454456"
                        y3="3.02872523"
                        yFract="0.33309291"
                        z3="5.738881"
                        zFract="0.28694405"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.11251451"
                        xFract="0.49949464"
                        y3="1.50364187"
                        yFract="0.16536741"
                        z3="5.7616194"
                        zFract="0.28808097"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.9899701"
                        xFract="0.83272399"
                        y3="9.0878635"
                        yFract="0.99946435"
                        z3="5.7725808"
                        zFract="0.28862904"/>
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                        id="a30"
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                        xFract="0.66673712"
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                        yFract="0.33232399"
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                        zFract="0.28547607"/>
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                        id="a31"
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                        y3="6.0579723"
                        yFract="0.66624321"
                        z3="5.729557"
                        zFract="0.28647785"/>
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                        id="a32"
                        x3="6.1129863"
                        xFract="0.33248686"
                        y3="4.54157368"
                        yFract="0.49947284"
                        z3="5.7086616"
                        zFract="0.28543308"/>
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                        id="a33"
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                        xFract="0.16620297"
                        y3="7.57655999"
                        yFract="0.83325433"
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                        xFract="0.49961813"
                        y3="6.06802996"
                        yFract="0.66734933"
                        z3="5.7690196"
                        zFract="0.28845098"/>
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                        id="a35"
                        x3="11.35615935"
                        xFract="0.83152562"
                        y3="4.54776238"
                        yFract="0.50015346"
                        z3="5.7683412"
                        zFract="0.28841706"/>
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                        x3="11.36157183"
                        xFract="0.66562638"
                        y3="7.57409241"
                        yFract="0.83298295"
                        z3="5.7721684"
                        zFract="0.28860842"/>
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                        x3="15.73998531"
                        xFract="0.99976011"
                        y3="9.08134874"
                        yFract="0.99874787"
                        z3="8.5777536"
                        zFract="0.42888768"/>
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                        id="a38"
                        x3="2.61374595"
                        xFract="0.16614479"
                        y3="1.50572002"
                        yFract="0.16559596"
                        z3="8.5938398"
                        zFract="0.42969199"/>
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                        id="a40"
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                        y3="9.07847307"
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                        z3="8.6257686"
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                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" 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 a63" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a51 a60" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO">
                  <atomArray count="4 9 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5473.776900000001</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">612.0000</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 9 4 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">-23.3280 -18.0407 -15.8263 -13.1741 -11.9093 -9.6833 -9.6064 -9.6057 -9.6052 -9.5095 -9.5089 -9.5087 -9.4552 -9.3796 -9.3786 -9.3761 -9.3529 -9.3519 -9.3507 -9.3436 -9.3413 -9.2885 -9.2867 -9.2853 -9.2181 -9.1950 -9.1874 -9.1865 -9.1838 -9.1701 -9.1694 -9.1681 -9.1679 -9.1669 -9.1634 -9.1471 -9.1434 -9.1429 -9.1371 -9.1367 -9.1343 -9.1138 -9.1133 -9.0778 -9.0747 -9.0710 -9.0697 -9.0641 -9.0614 -9.0304 -9.0271 -9.0187 -9.0166 -9.0152 -9.0141 -9.0126 -9.0106 -9.0083 -9.0052 -8.9835 -8.9833 -8.9816 -8.9637 -8.9624 -8.9593 -8.9577 -8.9575 -8.9527 -8.9523 -8.9498 -8.9174 -8.9170 -8.9104 -8.9090 -8.9055 -8.9035 -8.9026 -8.9011 -8.8995 -8.8975 -8.8834 -8.8825 -8.8815 -8.8796 -8.8785 -8.8762 -8.8757 -8.8733 -8.8708 -8.8699 -8.8693 -8.8687 -8.8678 -8.8672 -8.8661 -8.8655 -8.8590 -8.8469 -8.8459 -8.8184 -8.8181 -8.7855 -8.7839 -8.7820 -8.7789 -8.7784 -8.7771 -8.7752 -8.7723 -8.7536 -8.7536 -8.7440 -8.7423 -8.7370 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                        z3="5.77265245"
                        zFract="0.28863262"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="15.73976499"
                        xFract="0.99972576"
                        y3="9.08159181"
                        yFract="0.9987746"
                        z3="8.57690096"
                        zFract="0.42884505"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.6137378"
                        xFract="0.16610053"
                        y3="1.5065108"
                        yFract="0.16568293"
                        z3="8.59357695"
                        zFract="0.42967885"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.23025672"
                        xFract="0.33197125"
                        y3="3.02201789"
                        yFract="0.33235525"
                        z3="8.50731908"
                        zFract="0.42536595"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.4872957"
                        xFract="0.49962934"
                        y3="9.07853551"
                        yFract="0.99843848"
                        z3="8.62636432"
                        zFract="0.43131822"/>
                  <atom elementType="Cd"
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                        x3="7.86449479"
                        xFract="0.66599092"
                        y3="1.51034803"
                        yFract="0.16610494"
                        z3="8.57600793"
                        zFract="0.4288004"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.48534108"
                        xFract="0.8324089"
                        y3="3.02339796"
                        yFract="0.33250703"
                        z3="8.57772019"
                        zFract="0.42888601"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="13.11061422"
                        xFract="0.99886207"
                        y3="4.5434757"
                        yFract="0.49968202"
                        z3="8.59022961"
                        zFract="0.42951148"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.23363874"
                        xFract="0.1654284"
                        y3="6.05653524"
                        yFract="0.66608517"
                        z3="8.47041586"
                        zFract="0.42352079"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.85952609"
                        xFract="0.33242942"
                        y3="7.56771385"
                        yFract="0.83228145"
                        z3="8.59781214"
                        zFract="0.42989061"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.86521686"
                        xFract="0.49968705"
                        y3="4.5359124"
                        yFract="0.49885022"
                        z3="8.4691923"
                        zFract="0.42345962"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.48267336"
                        xFract="0.66601593"
                        y3="6.04471139"
                        yFract="0.6647848"
                        z3="8.73172123"
                        zFract="0.43658606"/>
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                        id="a48"
                        x3="13.10724532"
                        xFract="0.83242695"
                        y3="7.56434114"
                        yFract="0.83191053"
                        z3="8.61092042"
                        zFract="0.43054602"/>
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                        y3="7.09973705"
                        yFract="0.78081433"
                        z3="11.69821968"
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                        id="a50"
                        x3="8.65644553"
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                        z3="11.91720815"
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                        id="a55"
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                        id="a56"
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                        id="a57"
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                        id="a58"
                        x3="7.90057461"
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                        yFract="0.5239386"
                        z3="11.98013787"
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                        id="a59"
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                        yFract="0.47983451"
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                        id="a60"
                        x3="5.50964387"
                        xFract="0.22007032"
                        y3="5.54090134"
                        yFract="0.60937682"
                        z3="12.33615539"
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                        id="a61"
                        x3="6.32846116"
                        xFract="0.4200131"
                        y3="3.3230814"
                        yFract="0.36546559"
                        z3="13.262773"
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                        id="a62"
                        x3="8.24420693"
                        xFract="0.45541513"
                        y3="5.99744801"
                        yFract="0.65958687"
                        z3="11.91893116"
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                        id="a63"
                        x3="9.65211167"
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                        y3="6.13079302"
                        yFract="0.67425188"
                        z3="11.75851171"
                        zFract="0.58792559"/>
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               <bondArray>
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                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 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 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a17" 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 a42" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a37" 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 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" 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 a48" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" 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 a63" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a51 a60" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO">
                  <atomArray count="4 9 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5473.776900000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
