<?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">2022-04-05T09:37:26.000</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"
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                        x3="3.49979497"
                        xFract="0.16666667"
                        y3="3.03091131"
                        yFract="0.33333333"
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                        zFract="0.0000"/>
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                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
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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"
                        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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                        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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                        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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                        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="0.87820992"
                        xFract="0.00051801"
                        y3="1.51168394"
                        yFract="0.16625186"
                        z3="5.7701718"
                        zFract="0.28850859"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.49614413"
                        xFract="0.33270853"
                        y3="0.00503892"
                        yFract="0.00055417"
                        z3="5.7734248"
                        zFract="0.28867124"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49017213"
                        xFract="0.16544093"
                        y3="3.03653471"
                        yFract="0.33395178"
                        z3="5.7382228"
                        zFract="0.28691114"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12098909"
                        xFract="0.49946158"
                        y3="1.51892149"
                        yFract="0.16704783"
                        z3="5.7130116"
                        zFract="0.28565058"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00461118"
                        xFract="0.83437078"
                        y3="9.08327494"
                        yFract="0.99895971"
                        z3="5.7141326"
                        zFract="0.28570663"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.74992775"
                        xFract="0.66652282"
                        y3="3.03428999"
                        yFract="0.33370491"
                        z3="5.71174"
                        zFract="0.285587"/>
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                        id="a31"
                        x3="14.00187341"
                        xFract="0.99998696"
                        y3="6.06672524"
                        yFract="0.66720584"
                        z3="5.7862934"
                        zFract="0.28931467"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.11194896"
                        xFract="0.33089711"
                        y3="4.56868731"
                        yFract="0.50245474"
                        z3="5.7326192"
                        zFract="0.28663096"/>
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                        id="a33"
                        x3="6.11931874"
                        xFract="0.16618753"
                        y3="7.57677295"
                        yFract="0.83327775"
                        z3="5.7726412"
                        zFract="0.28863206"/>
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                        id="a34"
                        x3="8.75180048"
                        xFract="0.49974286"
                        y3="6.07050527"
                        yFract="0.66762156"
                        z3="5.7099214"
                        zFract="0.28549607"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37412091"
                        xFract="0.83300252"
                        y3="4.5520146"
                        yFract="0.50062111"
                        z3="5.7685222"
                        zFract="0.28842611"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37798452"
                        xFract="0.66714504"
                        y3="7.57490248"
                        yFract="0.83307204"
                        z3="5.768866"
                        zFract="0.2884433"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="10.4994718"
                        xFract="0.99984949"
                        y3="0.00288767"
                        yFract="0.00031758"
                        z3="8.5948652"
                        zFract="0.42974326"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.63360638"
                        xFract="0.16675089"
                        y3="1.52909707"
                        yFract="0.16816692"
                        z3="8.5892932"
                        zFract="0.42946466"/>
                  <atom elementType="Cd"
                        id="a39"
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                        xFract="0.33306138"
                        y3="3.05043759"
                        yFract="0.33548079"
                        z3="8.4579272"
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                        id="a40"
                        x3="5.2527361"
                        xFract="0.50010015"
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                        yFract="0.00037948"
                        z3="8.577823"
                        zFract="0.42889115"/>
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                        y3="1.51332164"
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                        id="a44"
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                  <bond atomRefs2="a4 a5" order="S"/>
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                  <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 a61" order="S"/>
                  <bond atomRefs2="a50 a59" 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 a61" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO2">
                  <atomArray count="3 7 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5477.765600000001</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 7 3 1 2</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">-24.1778 -21.9012 -19.9054 -15.4716 -12.5100 -11.7782 -11.1260 -9.5550 -9.5543 -9.5528 -9.4590 -9.4580 -9.4568 -9.4034 -9.3262 -9.3183 -9.3177 -9.3019 -9.2993 -9.2990 -9.2913 -9.2385 -9.2364 -9.2327 -9.1603 -9.1441 -9.1409 -9.1341 -9.1329 -9.1198 -9.1183 -9.1171 -9.1144 -9.1136 -9.1105 -9.0962 -9.0957 -9.0927 -9.0874 -9.0843 -9.0831 -9.0628 -9.0627 -9.0280 -9.0261 -9.0222 -9.0174 -9.0097 -9.0086 -8.9801 -8.9770 -8.9695 -8.9675 -8.9652 -8.9633 -8.9614 -8.9588 -8.9546 -8.9539 -8.9356 -8.9302 -8.9271 -8.9123 -8.9111 -8.9108 -8.9080 -8.9040 -8.9020 -8.8990 -8.8970 -8.8671 -8.8669 -8.8640 -8.8635 -8.8587 -8.8555 -8.8481 -8.8466 -8.8423 -8.8409 -8.8382 -8.8324 -8.8312 -8.8287 -8.8283 -8.8264 -8.8242 -8.8226 -8.8213 -8.8192 -8.8184 -8.8175 -8.8172 -8.8163 -8.8149 -8.8116 -8.8015 -8.7920 -8.7902 -8.7678 -8.7676 -8.7501 -8.7346 -8.7324 -8.7285 -8.7261 -8.7238 -8.7217 -8.7174 -8.7033 -8.7033 -8.6949 -8.6883 -8.6864 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                        id="a37"
                        x3="10.49856502"
                        xFract="0.9998794"
                        y3="0.00077315"
                        yFract="0.00008503"
                        z3="8.59322458"
                        zFract="0.42966123"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.63028657"
                        xFract="0.16670181"
                        y3="1.52423962"
                        yFract="0.16763271"
                        z3="8.59646924"
                        zFract="0.42982346"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25622195"
                        xFract="0.33322648"
                        y3="3.04416392"
                        yFract="0.33479082"
                        z3="8.46041704"
                        zFract="0.42302085"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25287069"
                        xFract="0.50013815"
                        y3="0.00299252"
                        yFract="0.00032911"
                        z3="8.57981365"
                        zFract="0.42899068"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87911249"
                        xFract="0.66732954"
                        y3="1.51132307"
                        yFract="0.16621217"
                        z3="8.47624192"
                        zFract="0.4238121"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.50029318"
                        xFract="0.83326702"
                        y3="3.03369045"
                        yFract="0.33363897"
                        z3="8.57873215"
                        zFract="0.42893661"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.6349664"
                        xFract="0.00040813"
                        y3="4.5564737"
                        yFract="0.50111151"
                        z3="8.61871496"
                        zFract="0.43093575"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25441181"
                        xFract="0.16590944"
                        y3="6.08376732"
                        yFract="0.66908009"
                        z3="8.83294035"
                        zFract="0.44164702"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87313165"
                        xFract="0.33323018"
                        y3="7.57671727"
                        yFract="0.83327163"
                        z3="8.59246992"
                        zFract="0.4296235"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87164375"
                        xFract="0.49899016"
                        y3="4.55971728"
                        yFract="0.50146823"
                        z3="8.44062803"
                        zFract="0.4220314"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49842244"
                        xFract="0.66653509"
                        y3="6.0625485"
                        yFract="0.66674649"
                        z3="8.58292703"
                        zFract="0.42914635"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.13146182"
                        xFract="0.83394319"
                        y3="7.57871177"
                        yFract="0.83349098"
                        z3="8.60034547"
                        zFract="0.43001727"/>
                  <atom elementType="H"
                        id="a49"
                        x3="3.73840298"
                        xFract="0.18447499"
                        y3="3.12033989"
                        yFract="0.3431685"
                        z3="11.55895579"
                        zFract="0.57794779"/>
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                        id="a50"
                        x3="5.7375675"
                        xFract="0.39859743"
                        y3="2.68907761"
                        yFract="0.29573917"
                        z3="12.41557135"
                        zFract="0.62077857"/>
                  <atom elementType="H"
                        id="a51"
                        x3="7.538174"
                        xFract="0.46009063"
                        y3="4.68953698"
                        yFract="0.51574554"
                        z3="13.12115943"
                        zFract="0.65605797"/>
                  <atom elementType="H"
                        id="a52"
                        x3="7.68644887"
                        xFract="0.48037251"
                        y3="4.57752107"
                        yFract="0.50342626"
                        z3="11.36005119"
                        zFract="0.56800256"/>
                  <atom elementType="H"
                        id="a53"
                        x3="8.00748138"
                        xFract="0.64225181"
                        y3="2.18971477"
                        yFract="0.24082028"
                        z3="13.30437168"
                        zFract="0.66521858"/>
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                        id="a54"
                        x3="9.33669289"
                        xFract="0.72069496"
                        y3="3.06545124"
                        yFract="0.33713196"
                        z3="12.50928975"
                        zFract="0.62546449"/>
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                        id="a55"
                        x3="8.1960259"
                        xFract="0.66404476"
                        y3="2.11996847"
                        yFract="0.23314973"
                        z3="11.52583955"
                        zFract="0.57629198"/>
                  <atom elementType="C"
                        id="a56"
                        x3="5.0494088"
                        xFract="0.23082025"
                        y3="4.54825824"
                        yFract="0.50020799"
                        z3="11.846227"
                        zFract="0.59231135"/>
                  <atom elementType="C"
                        id="a57"
                        x3="7.41028386"
                        xFract="0.48537936"
                        y3="4.00813728"
                        yFract="0.44080661"
                        z3="12.26337277"
                        zFract="0.61316864"/>
                  <atom elementType="C"
                        id="a58"
                        x3="8.28314702"
                        xFract="0.63653772"
                        y3="2.77109511"
                        yFract="0.30475928"
                        z3="12.41022728"
                        zFract="0.62051136"/>
                  <atom elementType="N"
                        id="a59"
                        x3="6.0034688"
                        xFract="0.37222367"
                        y3="3.62925131"
                        yFract="0.39913752"
                        z3="12.14324271"
                        zFract="0.60716214"/>
                  <atom elementType="O"
                        id="a60"
                        x3="5.28025396"
                        xFract="0.18723712"
                        y3="5.74067347"
                        yFract="0.63134734"
                        z3="11.64848225"
                        zFract="0.58242411"/>
                  <atom elementType="O"
                        id="a61"
                        x3="3.75923784"
                        xFract="0.13372881"
                        y3="4.07926993"
                        yFract="0.44862963"
                        z3="11.76027217"
                        zFract="0.58801361"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 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="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a46" 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 a36" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 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 a61" order="S"/>
                  <bond atomRefs2="a50 a59" 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 a61" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO2">
                  <atomArray count="3 7 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5477.765600000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
