<?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">2022-04-01T14:49:18.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
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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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                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a2"
                        x3="3.49979492"
                        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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                        id="a6"
                        x3="8.74948741"
                        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"/>
                  <atom elementType="Cd"
                        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"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a13"
                        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"/>
                  <atom elementType="Cd"
                        id="a15"
                        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"/>
                  <atom elementType="Cd"
                        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"/>
                  <atom elementType="Cd"
                        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"/>
                  <atom elementType="Cd"
                        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="11.36795068"
                        xFract="0.99957007"
                        y3="1.5122186"
                        yFract="0.16631066"
                        z3="5.7214762"
                        zFract="0.28607381"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.75265539"
                        xFract="0.33379044"
                        y3="9.08990845"
                        yFract="0.99968925"
                        z3="5.7708382"
                        zFract="0.28854191"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.50165594"
                        xFract="0.16662592"
                        y3="3.03487565"
                        yFract="0.33376932"
                        z3="5.7693432"
                        zFract="0.28846716"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12082519"
                        xFract="0.49953873"
                        y3="1.5172346"
                        yFract="0.16686231"
                        z3="5.714248"
                        zFract="0.2857124"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.7508959"
                        xFract="0.83335678"
                        y3="0.00201322"
                        yFract="0.00022141"
                        z3="5.768424"
                        zFract="0.2884212"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.7398254"
                        xFract="0.66507468"
                        y3="3.04312731"
                        yFract="0.33467682"
                        z3="5.7693314"
                        zFract="0.28846657"/>
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                        id="a31"
                        x3="3.50387504"
                        xFract="0.00079722"
                        y3="6.05439177"
                        yFract="0.66584943"
                        z3="5.7534346"
                        zFract="0.28767173"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.13267207"
                        xFract="0.33410086"
                        y3="4.54631909"
                        yFract="0.49999473"
                        z3="5.7858746"
                        zFract="0.28929373"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.1264967"
                        xFract="0.16702667"
                        y3="7.57394538"
                        yFract="0.83296678"
                        z3="5.7128774"
                        zFract="0.28564387"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74642227"
                        xFract="0.4999317"
                        y3="6.0577558"
                        yFract="0.6662194"
                        z3="5.7724268"
                        zFract="0.28862134"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37394751"
                        xFract="0.83304964"
                        y3="4.55085737"
                        yFract="0.50049384"
                        z3="5.712144"
                        zFract="0.2856072"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.36876701"
                        xFract="0.66606943"
                        y3="7.57849775"
                        yFract="0.83346744"
                        z3="5.7714772"
                        zFract="0.28857386"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="15.7482698"
                        xFract="0.99992693"
                        y3="9.09266419"
                        yFract="0.99999232"
                        z3="8.5480016"
                        zFract="0.42740008"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62405614"
                        xFract="0.16649441"
                        y3="1.51721978"
                        yFract="0.16686068"
                        z3="8.5770288"
                        zFract="0.42885144"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.26103602"
                        xFract="0.33370641"
                        y3="3.04377444"
                        yFract="0.33474799"
                        z3="8.5697778"
                        zFract="0.42848889"/>
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                        id="a40"
                        x3="5.25346775"
                        xFract="0.4996861"
                        y3="0.01224746"
                        yFract="0.00134695"
                        z3="8.5795126"
                        zFract="0.42897563"/>
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                        xFract="0.66454894"
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                        yFract="0.16963083"
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                        yFract="0.33380548"
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                        x3="13.12399254"
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                        y3="4.54762926"
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                  <bond atomRefs2="a4 a5" order="S"/>
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                  <bond atomRefs2="a6 a10" order="S"/>
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                  <bond atomRefs2="a7 a8" order="S"/>
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                  <bond atomRefs2="a43 a47" 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 a59" 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 a57" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a58" 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>
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                        y3="0.00136606"
                        yFract="0.00015024"
                        z3="8.54946813"
                        zFract="0.42747341"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62042572"
                        xFract="0.16626743"
                        y3="1.51505949"
                        yFract="0.1666231"
                        z3="8.57829389"
                        zFract="0.42891469"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24999167"
                        xFract="0.33320524"
                        y3="3.03375913"
                        yFract="0.33364653"
                        z3="8.58041106"
                        zFract="0.42902055"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25112118"
                        xFract="0.49983925"
                        y3="0.005398"
                        yFract="0.00059366"
                        z3="8.58018171"
                        zFract="0.42900909"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.86121058"
                        xFract="0.6640643"
                        y3="1.53969599"
                        yFract="0.16933257"
                        z3="8.51973061"
                        zFract="0.42598653"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.4877627"
                        xFract="0.83209047"
                        y3="3.03338317"
                        yFract="0.33360518"
                        z3="8.45635164"
                        zFract="0.42281758"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="13.12057118"
                        xFract="0.9995745"
                        y3="4.54776571"
                        yFract="0.50015383"
                        z3="8.58102653"
                        zFract="0.42905133"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25014483"
                        xFract="0.16656958"
                        y3="6.06437186"
                        yFract="0.66694702"
                        z3="8.57965636"
                        zFract="0.42898282"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87221325"
                        xFract="0.33303438"
                        y3="7.57868724"
                        yFract="0.83348828"
                        z3="8.5779655"
                        zFract="0.42889827"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.86485705"
                        xFract="0.49771091"
                        y3="4.5712261"
                        yFract="0.50273395"
                        z3="8.85480243"
                        zFract="0.44274012"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49404433"
                        xFract="0.66611557"
                        y3="6.06259455"
                        yFract="0.66675156"
                        z3="8.54862626"
                        zFract="0.42743131"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12510038"
                        xFract="0.83332373"
                        y3="7.57895873"
                        yFract="0.83351814"
                        z3="8.5788836"
                        zFract="0.42894418"/>
                  <atom elementType="H"
                        id="a49"
                        x3="10.16693316"
                        xFract="0.73113839"
                        y3="4.31355103"
                        yFract="0.47439538"
                        z3="11.15892553"
                        zFract="0.55794628"/>
                  <atom elementType="H"
                        id="a50"
                        x3="10.39456149"
                        xFract="0.81531838"
                        y3="3.17696219"
                        yFract="0.3493957"
                        z3="12.46058315"
                        zFract="0.62302916"/>
                  <atom elementType="H"
                        id="a51"
                        x3="8.24699466"
                        xFract="0.60010672"
                        y3="3.37099219"
                        yFract="0.37073472"
                        z3="14.21434877"
                        zFract="0.71071744"/>
                  <atom elementType="H"
                        id="a52"
                        x3="8.47421333"
                        xFract="0.70102108"
                        y3="1.92937161"
                        yFract="0.21218828"
                        z3="13.22502892"
                        zFract="0.66125145"/>
                  <atom elementType="H"
                        id="a53"
                        x3="5.90294671"
                        xFract="0.36181554"
                        y3="3.64441876"
                        yFract="0.4008056"
                        z3="13.2853413"
                        zFract="0.66426706"/>
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                        id="a54"
                        x3="6.10773317"
                        xFract="0.46889499"
                        y3="2.05182933"
                        yFract="0.22565593"
                        z3="14.07158157"
                        zFract="0.70357908"/>
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                        id="a55"
                        x3="6.12745437"
                        xFract="0.46280633"
                        y3="2.19671248"
                        yFract="0.24158988"
                        z3="12.29268901"
                        zFract="0.61463445"/>
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                        id="a56"
                        x3="8.44140565"
                        xFract="0.59666643"
                        y3="3.77028511"
                        yFract="0.41464812"
                        z3="12.13157575"
                        zFract="0.60657879"/>
                  <atom elementType="C"
                        id="a57"
                        x3="7.94046171"
                        xFract="0.59716455"
                        y3="2.89356627"
                        yFract="0.31822841"
                        z3="13.26919114"
                        zFract="0.66345956"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.42967898"
                        xFract="0.46488437"
                        y3="2.68239084"
                        yFract="0.29500377"
                        z3="13.23113814"
                        zFract="0.66155691"/>
                  <atom elementType="N"
                        id="a59"
                        x3="9.7852995"
                        xFract="0.72200446"
                        y3="3.81864681"
                        yFract="0.41996684"
                        z3="11.96677182"
                        zFract="0.59833859"/>
                  <atom elementType="O"
                        id="a60"
                        x3="7.65991834"
                        xFract="0.48674776"
                        y3="4.41563195"
                        yFract="0.48562203"
                        z3="11.40802036"
                        zFract="0.57040102"/>
               </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 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a4" 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 a10" order="S"/>
                  <bond atomRefs2="a6 a11" 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 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a22" 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 a42" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a40" 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 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" 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 a59" 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 a57" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a58" 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>
