<?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">2022-04-07T09:23:10.000</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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                        id="a2"
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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"
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                        xFract="0.83333333"
                        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"/>
                  <atom elementType="Cd"
                        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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                        id="a16"
                        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"/>
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                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="11.34310646"
                        xFract="0.99878906"
                        y3="1.48339017"
                        yFract="0.16314017"
                        z3="5.7196692"
                        zFract="0.28598346"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.70920689"
                        xFract="0.33515432"
                        y3="8.98985064"
                        yFract="0.9886851"
                        z3="5.7442278"
                        zFract="0.28721139"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.46801397"
                        xFract="0.16491156"
                        y3="3.00778249"
                        yFract="0.33078967"
                        z3="5.6603736"
                        zFract="0.28301868"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.10773603"
                        xFract="0.4993142"
                        y3="1.49864669"
                        yFract="0.16481805"
                        z3="5.6663766"
                        zFract="0.28331883"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.97731923"
                        xFract="0.83279826"
                        y3="9.06460092"
                        yFract="0.99690598"
                        z3="5.670929"
                        zFract="0.28354645"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.7146157"
                        xFract="0.66105881"
                        y3="3.07249329"
                        yFract="0.33790643"
                        z3="5.768781"
                        zFract="0.28843905"/>
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                        id="a31"
                        x3="13.96479142"
                        xFract="0.9984818"
                        y3="6.02986939"
                        yFract="0.66315251"
                        z3="5.7144962"
                        zFract="0.28572481"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.16103432"
                        xFract="0.33694562"
                        y3="4.54371066"
                        yFract="0.49970786"
                        z3="5.756169"
                        zFract="0.28780845"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.1524381"
                        xFract="0.1718586"
                        y3="7.53100631"
                        yFract="0.82824443"
                        z3="5.697886"
                        zFract="0.2848943"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.69272159"
                        xFract="0.49764052"
                        y3="6.00640968"
                        yFract="0.66057246"
                        z3="6.6201606"
                        zFract="0.33100803"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.30725621"
                        xFract="0.82637627"
                        y3="4.55670299"
                        yFract="0.50113673"
                        z3="5.7054538"
                        zFract="0.28527269"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.28411819"
                        xFract="0.66203663"
                        y3="7.50522004"
                        yFract="0.82540851"
                        z3="5.7432938"
                        zFract="0.28716469"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="10.46581897"
                        xFract="0.99511054"
                        y3="0.03077927"
                        yFract="0.00338504"
                        z3="8.5589852"
                        zFract="0.42794926"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.5791467"
                        xFract="0.16132515"
                        y3="1.53343976"
                        yFract="0.16864452"
                        z3="8.492447"
                        zFract="0.42462235"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.1882682"
                        xFract="0.32868477"
                        y3="3.00905774"
                        yFract="0.33092992"
                        z3="8.427955"
                        zFract="0.42139775"/>
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                        id="a40"
                        x3="10.47895076"
                        xFract="0.49821371"
                        y3="9.08982562"
                        yFract="0.99968014"
                        z3="8.4261794"
                        zFract="0.42130897"/>
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                        id="a41"
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                        y3="1.49128376"
                        yFract="0.16400829"
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                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a58" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a58" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a56" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
               </bondArray>
               <formula concise="C3H6Cd48S">
                  <atomArray count="3 6 48 1" elementType="C H Cd S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5463.825100000001</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 S 06Sep2000</array>
                  <array dictRef="cc:atomType" size="4">Cd H C S</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">112.41 1.00 12.01 32.07</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">12.00 1.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 6 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">-15.6977 -13.9328 -11.7819 -9.7058 -9.6925 -9.6915 -9.6469 -9.6135 -9.5806 -9.5774 -9.5441 -9.5001 -9.4983 -9.4981 -9.4826 -9.4378 -9.4321 -9.4194 -9.4068 -9.3789 -9.3755 -9.3455 -9.3114 -9.3083 -9.3008 -9.2913 -9.2845 -9.2749 -9.2685 -9.2677 -9.2647 -9.2612 -9.2597 -9.2522 -9.2440 -9.2413 -9.2340 -9.2295 -9.2144 -9.2107 -9.2027 -9.1925 -9.1879 -9.1833 -9.1764 -9.1680 -9.1444 -9.1428 -9.1395 -9.1367 -9.1347 -9.1310 -9.1262 -9.1244 -9.1236 -9.1209 -9.1042 -9.1010 -9.0970 -9.0936 -9.0881 -9.0866 -9.0781 -9.0762 -9.0532 -9.0523 -9.0512 -9.0506 -9.0476 -9.0432 -9.0411 -9.0284 -9.0234 -9.0179 -9.0152 -9.0147 -9.0119 -9.0096 -9.0074 -9.0060 -9.0048 -9.0035 -9.0031 -8.9995 -8.9957 -8.9888 -8.9859 -8.9740 -8.9721 -8.9639 -8.9539 -8.9440 -8.9361 -8.9315 -8.9278 -8.9241 -8.9177 -8.9131 -8.9058 -8.9049 -8.9025 -8.9022 -8.8995 -8.8924 -8.8866 -8.8826 -8.8781 -8.8756 -8.8706 -8.8562 -8.8510 -8.8497 -8.8441 -8.8359 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                        id="a44"
                        x3="5.30916577"
                        xFract="0.17254845"
                        y3="6.05787054"
                        yFract="0.66623202"
                        z3="8.45668641"
                        zFract="0.42283432"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.76433649"
                        xFract="0.31565445"
                        y3="7.70790137"
                        yFract="0.84769898"
                        z3="9.08166997"
                        zFract="0.4540835"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.68150178"
                        xFract="0.49355025"
                        y3="4.32930901"
                        yFract="0.47612841"
                        z3="9.27223604"
                        zFract="0.4636118"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.65538045"
                        xFract="0.68061729"
                        y3="6.07831634"
                        yFract="0.6684806"
                        z3="9.02884727"
                        zFract="0.45144236"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.14816595"
                        xFract="0.83554572"
                        y3="7.57850147"
                        yFract="0.83346785"
                        z3="8.49634441"
                        zFract="0.42481722"/>
                  <atom elementType="H"
                        id="a49"
                        x3="5.36349518"
                        xFract="0.19193716"
                        y3="5.79937898"
                        yFract="0.63780365"
                        z3="13.03382998"
                        zFract="0.6516915"/>
                  <atom elementType="H"
                        id="a50"
                        x3="5.50868548"
                        xFract="0.22258258"
                        y3="5.49355478"
                        yFract="0.60416974"
                        z3="11.28643134"
                        zFract="0.56432157"/>
                  <atom elementType="H"
                        id="a51"
                        x3="6.32846293"
                        xFract="0.2234223"
                        y3="6.89818032"
                        yFract="0.75864754"
                        z3="12.01561781"
                        zFract="0.60078089"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.99059767"
                        xFract="0.44960069"
                        y3="3.93187144"
                        yFract="0.43241905"
                        z3="12.54704181"
                        zFract="0.62735209"/>
                  <atom elementType="H"
                        id="a53"
                        x3="7.74445049"
                        xFract="0.44667898"
                        y3="5.29071535"
                        yFract="0.58186188"
                        z3="13.39411784"
                        zFract="0.66970589"/>
                  <atom elementType="H"
                        id="a54"
                        x3="9.17477311"
                        xFract="0.63621991"
                        y3="4.32121628"
                        yFract="0.47523839"
                        z3="11.5725505"
                        zFract="0.57862752"/>
                  <atom elementType="C"
                        id="a55"
                        x3="6.05412"
                        xFract="0.25523004"
                        y3="5.84456578"
                        yFract="0.6427732"
                        z3="12.17870573"
                        zFract="0.60893529"/>
                  <atom elementType="C"
                        id="a56"
                        x3="7.29283543"
                        xFract="0.42035835"
                        y3="4.98714817"
                        yFract="0.5484762"
                        z3="12.42887634"
                        zFract="0.62144382"/>
                  <atom elementType="C"
                        id="a57"
                        x3="8.37129844"
                        xFract="0.52032124"
                        y3="5.03722896"
                        yFract="0.55398398"
                        z3="11.34694664"
                        zFract="0.56734733"/>
                  <atom elementType="S"
                        id="a58"
                        x3="9.12973708"
                        xFract="0.50378292"
                        y3="6.65164026"
                        yFract="0.73153358"
                        z3="11.11111795"
                        zFract="0.5555559"/>
               </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 a27" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a27" 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 a28" 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 a35" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a25 a37" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a35" 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 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a58" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a58" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a56" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
               </bondArray>
               <formula concise="C3H6Cd48S">
                  <atomArray count="3 6 48 1" elementType="C H Cd S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5463.825100000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
