<?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">2022-04-05T19:35:57.000</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"/>
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                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="3.49979497"
                        xFract="0.16666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a4"
                        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"/>
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                        id="a8"
                        x3="6.12464114"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        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"/>
                  <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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                        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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                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="0.90035611"
                        xFract="0.00449144"
                        y3="1.47778359"
                        yFract="0.16252357"
                        z3="5.7542126"
                        zFract="0.28771063"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.77139957"
                        xFract="0.3359018"
                        y3="9.08397826"
                        yFract="0.99903706"
                        z3="5.7268036"
                        zFract="0.28634018"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.51753253"
                        xFract="0.16900208"
                        y3="3.01916313"
                        yFract="0.33204129"
                        z3="5.7233292"
                        zFract="0.28616646"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.16112262"
                        xFract="0.50436135"
                        y3="1.49933019"
                        yFract="0.16489322"
                        z3="5.7169964"
                        zFract="0.28584982"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.02625235"
                        xFract="0.8378862"
                        y3="9.056829"
                        yFract="0.99605124"
                        z3="5.7751886"
                        zFract="0.28875943"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.7738137"
                        xFract="0.67045514"
                        y3="3.00415058"
                        yFract="0.33039024"
                        z3="5.72719"
                        zFract="0.2863595"/>
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                        id="a31"
                        x3="3.5222173"
                        xFract="0.00330301"
                        y3="6.04059254"
                        yFract="0.66433182"
                        z3="5.7980696"
                        zFract="0.28990348"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.13423731"
                        xFract="0.33446002"
                        y3="4.54249869"
                        yFract="0.49957457"
                        z3="5.7707998"
                        zFract="0.28853999"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12945122"
                        xFract="0.16908415"
                        y3="7.54164653"
                        yFract="0.82941462"
                        z3="5.777991"
                        zFract="0.28889955"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.77991893"
                        xFract="0.50401749"
                        y3="6.04147172"
                        yFract="0.66442851"
                        z3="5.6936356"
                        zFract="0.28468178"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.4060424"
                        xFract="0.83730028"
                        y3="4.52914746"
                        yFract="0.49810623"
                        z3="5.7652678"
                        zFract="0.28826339"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.40649203"
                        xFract="0.67123044"
                        y3="7.54998402"
                        yFract="0.83033156"
                        z3="5.759574"
                        zFract="0.2879787"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.28581898"
                        xFract="0.00610034"
                        y3="9.0443695"
                        yFract="0.99468097"
                        z3="8.5716678"
                        zFract="0.42858339"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.66016158"
                        xFract="0.17108403"
                        y3="1.49629185"
                        yFract="0.16455907"
                        z3="8.5686544"
                        zFract="0.42843272"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.28326553"
                        xFract="0.33702989"
                        y3="3.02183803"
                        yFract="0.33233547"
                        z3="8.4722096"
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                        id="a40"
                        x3="10.54044035"
                        xFract="0.50471081"
                        y3="9.07817592"
                        yFract="0.99839893"
                        z3="8.561149"
                        zFract="0.42805745"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.91272313"
                        xFract="0.67163636"
                        y3="1.49121693"
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                        yFract="0.33061835"
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                        y3="4.52903908"
                        yFract="0.49809431"
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                  <atom elementType="Cd"
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                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
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                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
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                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a60" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO">
                  <atomArray count="3 7 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5461.766200000001</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">606.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Cd H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">112.41 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 7 3 1 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-23.6442 -18.3967 -14.8918 -14.0428 -10.3188 -9.5930 -9.5922 -9.5902 -9.4979 -9.4971 -9.4954 -9.4420 -9.3645 -9.3554 -9.3537 -9.3449 -9.3396 -9.3389 -9.3306 -9.2784 -9.2761 -9.2719 -9.1983 -9.1873 -9.1846 -9.1790 -9.1702 -9.1605 -9.1576 -9.1570 -9.1546 -9.1495 -9.1449 -9.1374 -9.1350 -9.1298 -9.1256 -9.1240 -9.1189 -9.1044 -9.1033 -9.0867 -9.0684 -9.0619 -9.0613 -9.0541 -9.0475 -9.0472 -9.0193 -9.0167 -9.0131 -9.0057 -9.0053 -9.0034 -9.0019 -9.0003 -8.9940 -8.9917 -8.9791 -8.9677 -8.9610 -8.9540 -8.9527 -8.9491 -8.9468 -8.9455 -8.9397 -8.9392 -8.9340 -8.9098 -8.9086 -8.9054 -8.9044 -8.9021 -8.8973 -8.8892 -8.8865 -8.8852 -8.8808 -8.8769 -8.8753 -8.8727 -8.8708 -8.8689 -8.8674 -8.8652 -8.8646 -8.8629 -8.8611 -8.8602 -8.8575 -8.8573 -8.8569 -8.8505 -8.8500 -8.8340 -8.8270 -8.8260 -8.8076 -8.8072 -8.7903 -8.7798 -8.7762 -8.7732 -8.7706 -8.7637 -8.7617 -8.7585 -8.7480 -8.7479 -8.7302 -8.7278 -8.7256 -8.7211 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                        xFract="0.00602848"
                        y3="9.04532999"
                        yFract="0.9947866"
                        z3="8.5723704"
                        zFract="0.42861852"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.65981977"
                        xFract="0.1710599"
                        y3="1.49613859"
                        yFract="0.16454221"
                        z3="8.57056672"
                        zFract="0.42852834"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.28434754"
                        xFract="0.3372268"
                        y3="3.0201313"
                        yFract="0.33214777"
                        z3="8.47586673"
                        zFract="0.42379334"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.54147208"
                        xFract="0.50481478"
                        y3="9.07807225"
                        yFract="0.99838753"
                        z3="8.56107424"
                        zFract="0.42805371"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.91297578"
                        xFract="0.67162068"
                        y3="1.49193967"
                        yFract="0.16408043"
                        z3="8.55828378"
                        zFract="0.42791419"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.53405666"
                        xFract="0.83804575"
                        y3="3.00526705"
                        yFract="0.33051303"
                        z3="8.56743821"
                        zFract="0.42837191"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.66989588"
                        xFract="0.00537727"
                        y3="4.52660713"
                        yFract="0.49782685"
                        z3="8.65349145"
                        zFract="0.43267457"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.2816537"
                        xFract="0.17200546"
                        y3="6.0200928"
                        yFract="0.6620773"
                        z3="9.00038064"
                        zFract="0.45001903"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.91918425"
                        xFract="0.33914046"
                        y3="7.54900151"
                        yFract="0.83022351"
                        z3="8.43137615"
                        zFract="0.42156881"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.9052591"
                        xFract="0.50375879"
                        y3="4.53122108"
                        yFract="0.49833428"
                        z3="8.46272943"
                        zFract="0.42313647"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.54046097"
                        xFract="0.67186358"
                        y3="6.03846023"
                        yFract="0.66409731"
                        z3="8.56082594"
                        zFract="0.4280413"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.16923868"
                        xFract="0.8392087"
                        y3="7.54838744"
                        yFract="0.83015597"
                        z3="8.66313868"
                        zFract="0.43315693"/>
                  <atom elementType="H"
                        id="a49"
                        x3="6.54054906"
                        xFract="0.18597442"
                        y3="7.94653136"
                        yFract="0.87394301"
                        z3="10.95746839"
                        zFract="0.54787342"/>
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                        id="a50"
                        x3="8.70044655"
                        xFract="0.51149904"
                        y3="5.76776595"
                        yFract="0.63432692"
                        z3="12.58762707"
                        zFract="0.62938135"/>
                  <atom elementType="H"
                        id="a51"
                        x3="8.08750055"
                        xFract="0.5253649"
                        y3="4.45395535"
                        yFract="0.48983676"
                        z3="13.65046441"
                        zFract="0.68252322"/>
                  <atom elementType="H"
                        id="a52"
                        x3="7.60289776"
                        xFract="0.38534624"
                        y3="6.16090344"
                        yFract="0.67756336"
                        z3="13.91099996"
                        zFract="0.69555"/>
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                        id="a53"
                        x3="5.13382338"
                        xFract="0.27458435"
                        y3="3.89859799"
                        yFract="0.42875971"
                        z3="11.45819981"
                        zFract="0.57290999"/>
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                        id="a54"
                        x3="5.68168202"
                        xFract="0.34635578"
                        y3="3.54231988"
                        yFract="0.38957698"
                        z3="13.12976865"
                        zFract="0.65648843"/>
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                        id="a55"
                        x3="6.71952597"
                        xFract="0.46822048"
                        y3="3.12375176"
                        yFract="0.34354373"
                        z3="11.75408437"
                        zFract="0.58770422"/>
                  <atom elementType="C"
                        id="a56"
                        x3="6.66557261"
                        xFract="0.34824586"
                        y3="5.21209641"
                        yFract="0.57321554"
                        z3="12.22471099"
                        zFract="0.61123555"/>
                  <atom elementType="C"
                        id="a57"
                        x3="7.82974578"
                        xFract="0.44898179"
                        y3="5.39657344"
                        yFract="0.59350394"
                        z3="13.15210729"
                        zFract="0.65760536"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.00318074"
                        xFract="0.35868191"
                        y3="3.87501566"
                        yFract="0.42616617"
                        z3="12.12914815"
                        zFract="0.60645741"/>
                  <atom elementType="N"
                        id="a59"
                        x3="6.20894876"
                        xFract="0.25268842"
                        y3="6.15895751"
                        yFract="0.67734935"
                        z3="11.47547762"
                        zFract="0.57377388"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.89617518"
                        xFract="0.25131268"
                        y3="7.37428706"
                        yFract="0.81100877"
                        z3="11.67860049"
                        zFract="0.58393002"/>
               </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 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 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="a17 a28" 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 a34" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" 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="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 a33" order="S"/>
                  <bond atomRefs2="a31 a32" 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 a37" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" 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 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" 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 a60" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48NO">
                  <atomArray count="3 7 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5461.766200000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
