<?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">2022-04-02T01:12:32.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.499384869541027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
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                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        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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                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        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"/>
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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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                        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"/>
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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"/>
                  <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"/>
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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="0.87582976"
                        xFract="0.00044377"
                        y3="1.50891148"
                        yFract="0.16594695"
                        z3="5.7109966"
                        zFract="0.28554983"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.76141429"
                        xFract="0.33494519"
                        y3="9.08407965"
                        yFract="0.99904821"
                        z3="5.7558684"
                        zFract="0.28779342"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.50879153"
                        xFract="0.16714163"
                        y3="3.03785643"
                        yFract="0.33409714"
                        z3="5.767452"
                        zFract="0.2883726"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12846092"
                        xFract="0.50011954"
                        y3="1.51989777"
                        yFract="0.1671552"
                        z3="5.7560684"
                        zFract="0.28780342"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.75317805"
                        xFract="0.83337953"
                        y3="0.0055523"
                        yFract="0.00061063"
                        z3="5.765871"
                        zFract="0.28829355"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.73215035"
                        xFract="0.66440305"
                        y3="3.04204764"
                        yFract="0.33455808"
                        z3="5.7582472"
                        zFract="0.28791236"/>
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                        id="a31"
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                        xFract="0.00087891"
                        y3="6.05596354"
                        yFract="0.66602229"
                        z3="5.7681954"
                        zFract="0.28840977"/>
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                        id="a32"
                        x3="6.13752987"
                        xFract="0.33465162"
                        y3="4.54471722"
                        yFract="0.49981856"
                        z3="5.7956966"
                        zFract="0.28978483"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.13041942"
                        xFract="0.16761095"
                        y3="7.57011434"
                        yFract="0.83254545"
                        z3="5.7104702"
                        zFract="0.28552351"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.7436949"
                        xFract="0.50025626"
                        y3="6.04712958"
                        yFract="0.66505075"
                        z3="5.802486"
                        zFract="0.2901243"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37929296"
                        xFract="0.83333381"
                        y3="4.55494819"
                        yFract="0.50094374"
                        z3="5.7030978"
                        zFract="0.28515489"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37044397"
                        xFract="0.66598676"
                        y3="7.58290572"
                        yFract="0.83395222"
                        z3="5.7623834"
                        zFract="0.28811917"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.27120079"
                        xFract="0.00282756"
                        y3="9.07856709"
                        yFract="0.99844195"
                        z3="8.5418814"
                        zFract="0.42709407"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.6399153"
                        xFract="0.16842352"
                        y3="1.50960689"
                        yFract="0.16602343"
                        z3="8.5627988"
                        zFract="0.42813994"/>
                  <atom elementType="Cd"
                        id="a39"
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                        xFract="0.33702291"
                        y3="3.044306"
                        yFract="0.33480645"
                        z3="8.5991342"
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                        id="a40"
                        x3="5.26795281"
                        xFract="0.50158687"
                        y3="0.00276992"
                        yFract="0.00030463"
                        z3="8.5756374"
                        zFract="0.42878187"/>
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                        y3="1.53567094"
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                  <bond atomRefs2="a53 a56" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a55 a57" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
               </bondArray>
               <formula concise="C2H6Cd48N2">
                  <atomArray count="2 6 48 2" elementType="C H Cd N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5447.762800000001</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">600.0000</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="4">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cd H C N</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">112.41 1.00 12.01 14.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">12.00 1.00 4.00 5.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 6 2 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="1800">-20.8385 -18.8541 -14.1156 -11.9305 -10.4829 -9.5293 -9.5264 -9.5258 -9.4338 -9.4331 -9.4322 -9.3777 -9.2992 -9.2898 -9.2881 -9.2863 -9.2766 -9.2675 -9.2648 -9.2629 -9.2139 -9.2080 -9.2046 -9.1316 -9.1198 -9.1178 -9.1100 -9.1048 -9.0968 -9.0935 -9.0905 -9.0883 -9.0856 -9.0769 -9.0732 -9.0710 -9.0637 -9.0635 -9.0587 -9.0528 -9.0388 -9.0385 -9.0100 -9.0024 -9.0003 -8.9958 -8.9836 -8.9807 -8.9574 -8.9538 -8.9518 -8.9454 -8.9431 -8.9385 -8.9380 -8.9361 -8.9295 -8.9277 -8.9174 -8.8992 -8.8967 -8.8931 -8.8909 -8.8881 -8.8821 -8.8811 -8.8792 -8.8763 -8.8706 -8.8515 -8.8492 -8.8414 -8.8405 -8.8321 -8.8305 -8.8286 -8.8242 -8.8179 -8.8162 -8.8153 -8.8107 -8.8090 -8.8064 -8.8056 -8.8041 -8.8038 -8.8021 -8.8021 -8.7998 -8.7988 -8.7955 -8.7942 -8.7935 -8.7866 -8.7853 -8.7653 -8.7645 -8.7589 -8.7445 -8.7434 -8.7273 -8.7194 -8.7107 -8.7071 -8.7031 -8.6982 -8.6965 -8.6899 -8.6867 -8.6867 -8.6686 -8.6658 -8.6622 -8.6566 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                        id="a44"
                        x3="5.29989484"
                        xFract="0.17221321"
                        y3="6.04790931"
                        yFract="0.6651365"
                        z3="8.53531723"
                        zFract="0.42676586"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.89642566"
                        xFract="0.33664279"
                        y3="7.55500367"
                        yFract="0.83088361"
                        z3="8.5506965"
                        zFract="0.42753482"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.91292482"
                        xFract="0.50412602"
                        y3="4.53782015"
                        yFract="0.49906003"
                        z3="9.11053245"
                        zFract="0.45552662"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.50414072"
                        xFract="0.6676636"
                        y3="6.05193028"
                        yFract="0.66557872"
                        z3="8.55675434"
                        zFract="0.42783772"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.14193859"
                        xFract="0.83514893"
                        y3="7.57493112"
                        yFract="0.83307519"
                        z3="8.58784458"
                        zFract="0.42939223"/>
                  <atom elementType="H"
                        id="a49"
                        x3="10.17035426"
                        xFract="0.76710193"
                        y3="3.66546276"
                        yFract="0.40311998"
                        z3="11.02063498"
                        zFract="0.55103175"/>
                  <atom elementType="H"
                        id="a50"
                        x3="10.68625835"
                        xFract="0.81702848"
                        y3="3.65109714"
                        yFract="0.40154008"
                        z3="12.68286815"
                        zFract="0.63414341"/>
                  <atom elementType="H"
                        id="a51"
                        x3="8.70565545"
                        xFract="0.5776735"
                        y3="4.57337462"
                        yFract="0.50297024"
                        z3="13.46446345"
                        zFract="0.67322317"/>
                  <atom elementType="H"
                        id="a52"
                        x3="5.7869315"
                        xFract="0.28460925"
                        y3="4.84750694"
                        yFract="0.53311874"
                        z3="11.82807267"
                        zFract="0.59140363"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.5936143"
                        xFract="0.27502104"
                        y3="6.41908862"
                        yFract="0.70595803"
                        z3="11.6861205"
                        zFract="0.58430603"/>
                  <atom elementType="H"
                        id="a54"
                        x3="6.73317818"
                        xFract="0.33959593"
                        y3="5.48649573"
                        yFract="0.6033934"
                        z3="13.2148294"
                        zFract="0.66074147"/>
                  <atom elementType="C"
                        id="a55"
                        x3="8.8003764"
                        xFract="0.59635146"
                        y3="4.39776863"
                        yFract="0.48365746"
                        z3="12.37877463"
                        zFract="0.61893873"/>
                  <atom elementType="C"
                        id="a56"
                        x3="6.69422905"
                        xFract="0.34030367"
                        y3="5.40616326"
                        yFract="0.59455861"
                        z3="12.11086539"
                        zFract="0.60554327"/>
                  <atom elementType="N"
                        id="a57"
                        x3="7.87021756"
                        xFract="0.4881286"
                        y3="4.75476957"
                        yFract="0.52291968"
                        z3="11.56124212"
                        zFract="0.57806211"/>
                  <atom elementType="N"
                        id="a58"
                        x3="9.94075319"
                        xFract="0.73946531"
                        y3="3.77036676"
                        yFract="0.4146571"
                        z3="12.01158343"
                        zFract="0.60057917"/>
               </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 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" 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 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 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 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" 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 a57" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a58" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a56" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a55 a57" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
               </bondArray>
               <formula concise="C2H6Cd48N2">
                  <atomArray count="2 6 48 2" elementType="C H Cd N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5447.762800000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
