<?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">2022-09-26T16:34:19.000</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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                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        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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                        x3="8.74948736"
                        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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                        id="a7"
                        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"/>
                  <atom elementType="Cd"
                        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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                        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"/>
                  <atom elementType="Cd"
                        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="0.89286365"
                        xFract="0.000009"
                        y3="1.54632153"
                        yFract="0.17006123"
                        z3="5.746976"
                        zFract="0.2873488"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.53328974"
                        xFract="0.3351725"
                        y3="0.02456857"
                        yFract="0.002702"
                        z3="5.7622864"
                        zFract="0.28811432"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.52941311"
                        xFract="0.16755336"
                        y3="3.06608655"
                        yFract="0.33720183"
                        z3="5.7362068"
                        zFract="0.28681034"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.15473873"
                        xFract="0.50155594"
                        y3="1.53929067"
                        yFract="0.16928799"
                        z3="5.7066418"
                        zFract="0.28533209"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.78507576"
                        xFract="0.83506504"
                        y3="0.03014896"
                        yFract="0.00331572"
                        z3="5.7542668"
                        zFract="0.28771334"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.78288243"
                        xFract="0.66784949"
                        y3="3.06724306"
                        yFract="0.33732902"
                        z3="5.7752882"
                        zFract="0.28876441"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.53494854"
                        xFract="0.00228948"
                        y3="6.08107521"
                        yFract="0.66878402"
                        z3="5.7273332"
                        zFract="0.28636666"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.17117788"
                        xFract="0.33623915"
                        y3="4.57412731"
                        yFract="0.50305302"
                        z3="5.7773862"
                        zFract="0.28886931"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.15747193"
                        xFract="0.168176"
                        y3="7.60669495"
                        yFract="0.83656851"
                        z3="5.7257736"
                        zFract="0.28628868"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.78062417"
                        xFract="0.50176329"
                        y3="6.08368692"
                        yFract="0.66907125"
                        z3="5.7740046"
                        zFract="0.28870023"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.40332316"
                        xFract="0.83437826"
                        y3="4.57757591"
                        yFract="0.50343229"
                        z3="5.7440786"
                        zFract="0.28720393"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.39329845"
                        xFract="0.66679389"
                        y3="7.60781281"
                        yFract="0.83669145"
                        z3="5.7459462"
                        zFract="0.28729731"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="0.03786976"
                        xFract="0.00270284"
                        y3="0.01643994"
                        yFract="0.00180803"
                        z3="8.5721782"
                        zFract="0.42860891"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.6623916"
                        xFract="0.16885391"
                        y3="1.54071013"
                        yFract="0.1694441"
                        z3="8.5623294"
                        zFract="0.42811647"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.30089237"
                        xFract="0.33668601"
                        y3="3.05862224"
                        yFract="0.33638092"
                        z3="8.4773052"
                        zFract="0.42386526"/>
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                        id="a40"
                        x3="5.29145437"
                        xFract="0.50224975"
                        y3="0.03142103"
                        yFract="0.00345562"
                        z3="8.5751992"
                        zFract="0.42875996"/>
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                        id="a41"
                        x3="7.9145275"
                        xFract="0.66872756"
                        y3="1.54724008"
                        yFract="0.17016225"
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                        xFract="0.00283021"
                        y3="4.5670037"
                        yFract="0.50226958"
                        z3="8.5683796"
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                        id="a44"
                        x3="5.29952488"
                        xFract="0.17037089"
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                  <bond atomRefs2="a4 a5" order="S"/>
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                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
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                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
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                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a59" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a56" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48N">
                  <atomArray count="3 7 48 1" elementType="C H Cd N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5445.766800000001</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 7 3 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="1800">-19.8572 -16.2932 -13.5578 -11.2690 -9.5257 -9.5255 -9.5241 -9.4051 -9.4041 -9.4021 -9.3746 -9.3238 -9.3184 -9.3172 -9.2411 -9.2337 -9.2318 -9.2309 -9.1834 -9.1819 -9.1811 -9.1590 -9.1013 -9.0992 -9.0977 -9.0963 -9.0936 -9.0899 -9.0889 -9.0866 -9.0838 -9.0508 -9.0489 -9.0460 -9.0432 -9.0405 -9.0390 -9.0380 -9.0354 -9.0340 -9.0252 -9.0048 -9.0028 -8.9967 -8.9943 -8.9855 -8.9836 -8.9538 -8.9492 -8.9328 -8.9301 -8.9185 -8.9158 -8.9138 -8.9122 -8.9095 -8.9076 -8.8994 -8.8976 -8.8950 -8.8851 -8.8847 -8.8706 -8.8688 -8.8671 -8.8629 -8.8615 -8.8541 -8.8383 -8.8374 -8.8339 -8.8327 -8.8309 -8.8224 -8.8205 -8.8169 -8.8048 -8.8039 -8.7971 -8.7879 -8.7847 -8.7823 -8.7805 -8.7801 -8.7763 -8.7737 -8.7599 -8.7589 -8.7555 -8.7536 -8.7521 -8.7412 -8.7404 -8.7399 -8.7373 -8.7368 -8.7341 -8.7248 -8.7234 -8.7162 -8.7159 -8.7107 -8.7050 -8.7022 -8.6984 -8.6899 -8.6870 -8.6618 -8.6614 -8.6541 -8.6522 -8.6515 -8.6498 -8.6394 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                        y3="4.56698845"
                        yFract="0.5022679"
                        z3="8.56852283"
                        zFract="0.42842614"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.29948733"
                        xFract="0.17038248"
                        y3="6.08049608"
                        yFract="0.66872033"
                        z3="8.48906077"
                        zFract="0.42445304"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.91450427"
                        xFract="0.33592003"
                        y3="7.59946059"
                        yFract="0.83577289"
                        z3="8.53976544"
                        zFract="0.42698827"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.96264429"
                        xFract="0.50603103"
                        y3="4.58929338"
                        yFract="0.50472095"
                        z3="8.86568008"
                        zFract="0.443284"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.54240365"
                        xFract="0.66932966"
                        y3="6.08790557"
                        yFract="0.66953521"
                        z3="8.56043236"
                        zFract="0.42802162"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.16514894"
                        xFract="0.83613183"
                        y3="7.5972581"
                        yFract="0.83553066"
                        z3="8.55940395"
                        zFract="0.4279702"/>
                  <atom elementType="H"
                        id="a49"
                        x3="5.86018459"
                        xFract="0.27446667"
                        y3="5.15883253"
                        yFract="0.56735769"
                        z3="13.65724207"
                        zFract="0.6828621"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.71313829"
                        xFract="0.23474162"
                        y3="3.89450873"
                        yFract="0.42830998"
                        z3="14.15727912"
                        zFract="0.70786396"/>
                  <atom elementType="H"
                        id="a51"
                        x3="4.80813307"
                        xFract="0.21719177"
                        y3="4.37819675"
                        yFract="0.48150498"
                        z3="12.45129185"
                        zFract="0.62256459"/>
                  <atom elementType="H"
                        id="a52"
                        x3="5.98922756"
                        xFract="0.45175026"
                        y3="2.15835661"
                        yFract="0.23737158"
                        z3="12.88405103"
                        zFract="0.64420255"/>
                  <atom elementType="H"
                        id="a53"
                        x3="7.06199014"
                        xFract="0.51079341"
                        y3="2.94270853"
                        yFract="0.32363297"
                        z3="14.02476915"
                        zFract="0.70123846"/>
                  <atom elementType="H"
                        id="a54"
                        x3="8.13420667"
                        xFract="0.6293124"
                        y3="2.64451864"
                        yFract="0.29083867"
                        z3="11.73848396"
                        zFract="0.5869242"/>
                  <atom elementType="H"
                        id="a55"
                        x3="6.70330527"
                        xFract="0.35418994"
                        y3="5.16935555"
                        yFract="0.56851499"
                        z3="11.5312359"
                        zFract="0.5765618"/>
                  <atom elementType="C"
                        id="a56"
                        x3="5.4021583"
                        xFract="0.28345333"
                        y3="4.20208121"
                        yFract="0.46213616"
                        z3="13.36133096"
                        zFract="0.66806655"/>
                  <atom elementType="C"
                        id="a57"
                        x3="6.46067071"
                        xFract="0.44317078"
                        y3="3.13094192"
                        yFract="0.34433449"
                        z3="13.11783741"
                        zFract="0.65589187"/>
                  <atom elementType="C"
                        id="a58"
                        x3="7.40701626"
                        xFract="0.51680047"
                        y3="3.43107001"
                        yFract="0.37734195"
                        z3="11.99389407"
                        zFract="0.5996947"/>
                  <atom elementType="N"
                        id="a59"
                        x3="7.42684338"
                        xFract="0.46070567"
                        y3="4.48552178"
                        yFract="0.49330837"
                        z3="11.26937396"
                        zFract="0.5634687"/>
               </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 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 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 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 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 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" 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 a40" 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 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a59" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a56" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
               </bondArray>
               <formula concise="C3H7Cd48N">
                  <atomArray count="3 7 48 1" elementType="C H Cd N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5445.766800000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
