<?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">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build Apr 19 2024 10:32:06) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-10-14T13:02:08.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
               </crystal>
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                        yFract="0.79889018"
                        z3="6.71320401"
                        zFract="0.13909569"/>
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                        xFract="0.80224677"
                        y3="3.07614361"
                        yFract="0.30106534"
                        z3="6.7399259"
                        zFract="0.13964936"/>
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                        z3="6.74236415"
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                        zFract="0.1400561"/>
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                        xFract="0.8828702"
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                  <bond atomRefs2="a110 a216" order="S"/>
                  <bond atomRefs2="a110 a217" order="S"/>
                  <bond atomRefs2="a111 a218" order="S"/>
                  <bond atomRefs2="a111 a219" order="S"/>
                  <bond atomRefs2="a112 a220" order="S"/>
                  <bond atomRefs2="a112 a221" order="S"/>
                  <bond atomRefs2="a113 a223" order="S"/>
                  <bond atomRefs2="a113 a222" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a224" order="S"/>
                  <bond atomRefs2="a114 a202" order="S"/>
                  <bond atomRefs2="a115 a204" order="S"/>
                  <bond atomRefs2="a115 a225" order="S"/>
                  <bond atomRefs2="a116 a207" order="S"/>
                  <bond atomRefs2="a116 a117" order="S"/>
                  <bond atomRefs2="a117 a228" order="S"/>
                  <bond atomRefs2="a117 a209" order="S"/>
                  <bond atomRefs2="a118 a230" order="S"/>
                  <bond atomRefs2="a119 a163" order="S"/>
                  <bond atomRefs2="a119 a181" order="S"/>
                  <bond atomRefs2="a120 a164" order="S"/>
               </bondArray>
               <formula concise="C54H117Au64N3">
                  <atomArray count="54 117 64 3" elementType="C H Au N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">13296.457100000023</scalar>
               </property>
            </molecule>
            <parameterList>
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               </parameter>
               <parameter dictRef="v:ispin">
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               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</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">1052.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
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               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</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>
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               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
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            </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 Au 06Sep2000|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Au C N H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">196.966 12.011 14.001 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.000 4.000 5.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">64 54 3 117</array>
               </module>
            </module>
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         <module dictRef="cc:calculation" id="calculation">
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               <module cmlx:templateRef="eigenvalues">
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               <module cmlx:templateRef="forces" id="forces">
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               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
                  </crystal>
                  <atomArray>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           id="a3"
                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
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                           id="a4"
                           x3="1.78708"
                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           id="a5"
                           x3="9.14404"
                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           id="a6"
                           x3="6.19927"
                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           id="a7"
                           x3="3.25522"
                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           id="a8"
                           x3="0.2953"
                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           id="a10"
                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           id="a11"
                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           id="a13"
                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           id="a14"
                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           id="a15"
                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
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                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
                     <atom elementType="Au"
                           id="a30"
                           x3="7.66238"
                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
                     <atom elementType="Au"
                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           id="a32"
                           x3="1.76888"
                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           id="a33"
                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           id="a34"
                           x3="7.68213"
                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           id="a35"
                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
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                           id="a37"
                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
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                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           x3="1.78708"
                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           x3="6.19927"
                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           x3="3.25522"
                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           x3="7.66238"
                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           x3="1.76888"
                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
                     <atom elementType="Au"
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                           x3="7.68213"
                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
                     <atom elementType="Au"
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           x3="7.67272"
                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
                           id="a51"
                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
                           id="a52"
                           x3="1.76396"
                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
                           id="a54"
                           x3="6.19226"
                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
                           z3="14.44743"
                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
                           z3="14.45173"
                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
                           z3="14.48299"
                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
                           z3="39.62289"
                           zFract="0.82097508"/>
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                           x3="8.57291"
                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
                           z3="38.0942"
                           zFract="0.78930106"/>
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
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                           x3="-0.97319"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a119 a181" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                     <bond atomRefs2="a92 a172" order="S"/>
                     <bond atomRefs2="a93 a174" order="S"/>
                     <bond atomRefs2="a93 a94" order="S"/>
                     <bond atomRefs2="a94 a147" order="S"/>
                     <bond atomRefs2="a94 a175" order="S"/>
                     <bond atomRefs2="a95 a96" order="S"/>
                     <bond atomRefs2="a95 a151" order="S"/>
                     <bond atomRefs2="a95 a177" order="S"/>
                     <bond atomRefs2="a96 a154" order="S"/>
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                     <bond atomRefs2="a97 a180" order="S"/>
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                     <bond atomRefs2="a97 a119" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
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                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.10">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
                     <atom elementType="Au"
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
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                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           zFract="0.29939536"/>
                     <atom elementType="Au"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           x3="8.57291"
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                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
                           z3="6.75185"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           xFract="0.29935345"
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                           yFract="0.54864835"
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                           zFract="0.14005617"/>
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                           y3="0.51311"
                           yFract="0.0502186"
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                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           x3="-1.16781"
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                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           xFract="0.96735442"
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                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           zFract="0.25030372"/>
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                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
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                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           zFract="0.25000929"/>
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                           xFract="0.80020102"
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                           yFract="0.80045191"
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                           zFract="0.29946498"/>
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                           xFract="0.79972477"
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                           yFract="0.29878851"
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                           y3="8.17334"
                           yFract="0.79993319"
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                           xFract="0.2977138"
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                           yFract="0.29640535"
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                           yFract="0.04931917"
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                           yFract="0.54979638"
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                           xFract="0.30003224"
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                           xFract="0.3002482"
                           y3="5.64696"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.5523929"
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                           y3="3.0640"
                           yFract="0.29987683"
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                           y3="8.16229"
                           yFract="0.79885172"
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
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                           yFract="0.200066"
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                           yFract="0.58228564"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           yFract="0.80015634"
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                           yFract="0.29856047"
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                           zFract="0.13987798"/>
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                           yFract="0.96681504"
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                           yFract="0.46534836"
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
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                           y3="4.75926"
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                           yFract="0.88289749"
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                           yFract="0.38206305"
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                           yFract="0.04928394"
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                           y3="5.64409"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a95 a151" order="S"/>
                     <bond atomRefs2="a95 a177" order="S"/>
                     <bond atomRefs2="a96 a154" order="S"/>
                     <bond atomRefs2="a96 a178" order="S"/>
                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
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                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.22">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
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                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           y3="9.86231"
                           yFract="0.96523443"
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                           zFract="0.19623914"/>
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                           xFract="0.38267621"
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                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
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                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
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                           zFract="0.30046056"/>
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           x3="6.19618"
                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
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                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
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                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
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                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           y3="0.53067"
                           yFract="0.05193722"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           y3="0.51311"
                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
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                           zFract="0.14006156"/>
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                           yFract="0.29914084"
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
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                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
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                           zFract="0.19623914"/>
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                           xFract="0.38267621"
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                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           xFract="0.96735442"
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                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
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                           xFract="0.46526806"
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                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
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                           zFract="0.25121373"/>
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                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           zFract="0.24994299"/>
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                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           zFract="0.25004659"/>
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                           xFract="0.71777032"
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                           yFract="0.63329015"
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                           xFract="0.80020102"
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                           yFract="0.29878851"
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                           yFract="0.79993319"
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                           yFract="0.04931917"
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                           xFract="0.04732721"
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                           yFract="0.04693014"
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                           xFract="0.04981791"
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                           yFract="0.5493677"
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                           yFract="0.3009906"
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                     <bond atomRefs2="a108 a117" order="S"/>
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                     <bond atomRefs2="a109 a238" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           y3="8.16949"
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                           yFract="0.2999013"
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                           yFract="0.54921698"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           y3="0.50775"
                           yFract="0.04969401"
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                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           z3="6.75982"
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                           y3="3.05648"
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                           z3="6.74843"
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                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           y3="3.05055"
                           yFract="0.29856047"
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                           zFract="0.13987798"/>
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
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                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
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                           zFract="0.19629487"/>
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           yFract="0.2166062"
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                           yFract="0.71763247"
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                           yFract="0.21478874"
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                           zFract="0.19607877"/>
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                           yFract="0.71735354"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           yFract="0.63487664"
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                           yFract="0.88376756"
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                           yFract="0.88222022"
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                           y3="3.89412"
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                           yFract="0.88289749"
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                           y3="3.90663"
                           yFract="0.3823459"
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           yFract="0.13490445"
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                           yFract="0.29640535"
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                           yFract="0.04931917"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
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                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           zFract="0.29915211"/>
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                           x3="-1.20828"
                           xFract="0.04752606"
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                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
                     <bond atomRefs2="a98 a184" order="S"/>
                     <bond atomRefs2="a98 a109" order="S"/>
                     <bond atomRefs2="a98 a182" order="S"/>
                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.34">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
                     <atom elementType="Au"
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
                     <atom elementType="Au"
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
                     <atom elementType="Au"
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
                     <atom elementType="Au"
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
                     <atom elementType="Au"
                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           x3="7.67272"
                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
                           id="a51"
                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
                           z3="14.44743"
                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
                           z3="14.48299"
                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
                     <atom elementType="Au"
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                           x3="6.19618"
                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                     <atom elementType="C"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           zFract="0.82097508"/>
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
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                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.39">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
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                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                           yFract="0.2999013"
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                           yFract="0.05193722"
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                           yFract="0.54921698"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
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                           yFract="0.29914084"
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                           yFract="0.80015634"
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                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
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                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
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                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           yFract="0.96621607"
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                           zFract="0.19649627"/>
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                           yFract="0.96523443"
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                           yFract="0.46549614"
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                           xFract="0.96480025"
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                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           xFract="0.96735442"
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                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
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                           yFract="0.38318465"
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                           xFract="0.46526806"
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                           yFract="0.88222022"
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                           y3="3.89412"
                           yFract="0.38112153"
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                           x3="-2.6427"
                           xFract="0.21745667"
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                           yFract="0.88289749"
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                           xFract="0.71593874"
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                           yFract="0.88324395"
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                           zFract="0.25008865"/>
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                           xFract="0.71672423"
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                           yFract="0.38206305"
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                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
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                           zFract="0.25176984"/>
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                           x3="-1.18982"
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                           y3="6.46367"
                           yFract="0.63260603"
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                           xFract="0.71781758"
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                           yFract="0.1340011"
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                           xFract="0.71777032"
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                           xFract="0.04732721"
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                     <bond atomRefs2="a107 a115" order="S"/>
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                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
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                     <bond atomRefs2="a116 a207" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
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                     <atom elementType="Au"
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
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                           y3="0.53067"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           yFract="0.05080191"
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
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                           zFract="0.14005617"/>
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                           y3="0.51311"
                           yFract="0.0502186"
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                           y3="5.59907"
                           yFract="0.54798674"
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                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           y3="7.33243"
                           yFract="0.71763247"
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                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           yFract="0.71638755"
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                           y3="2.20797"
                           yFract="0.2160963"
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                           yFract="0.71735354"
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                           xFract="0.38290464"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           y3="1.33926"
                           yFract="0.13107475"
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                           yFract="0.13193308"
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                           y3="6.48687"
                           yFract="0.63487664"
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                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
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                           yFract="0.88289749"
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                           y3="3.90663"
                           yFract="0.3823459"
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                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
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                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           xFract="0.21705065"
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                           yFract="0.13490445"
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                           zFract="0.25176984"/>
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                           y3="6.46367"
                           yFract="0.63260603"
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                           xFract="0.71781758"
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                           yFract="0.1340011"
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                           yFract="0.29878851"
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                           yFract="0.79993319"
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                           yFract="0.29640535"
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                           yFract="0.04931917"
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                           yFract="0.54979638"
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                           yFract="0.0465641"
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                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
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                     <atom elementType="Au"
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                     <atom elementType="Au"
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                     <atom elementType="Au"
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                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           x3="1.77176"
                           xFract="0.54959811"
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.46">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
                     <atom elementType="Au"
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           x3="7.67272"
                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
                           id="a52"
                           x3="1.76396"
                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
                           id="a54"
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
                     <atom elementType="Au"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
                     <atom elementType="Au"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
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                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           id="a65"
                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           zFract="0.82097508"/>
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                           x3="8.57291"
                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
                           z3="38.0942"
                           zFract="0.78930106"/>
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
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                           xFract="0.81877491"
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                           x3="-2.22184"
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                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.51">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           yFract="0.79955639"
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                           yFract="0.2999013"
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                           yFract="0.0502186"
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                           yFract="0.54951451"
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                           yFract="0.80015634"
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                           xFract="0.63290741"
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                           yFract="0.96745708"
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                           zFract="0.19629487"/>
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                           y3="4.75926"
                           yFract="0.46579367"
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                           zFract="0.19643183"/>
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                           yFract="0.2166062"
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                           zFract="0.19663219"/>
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                           yFract="0.71763247"
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                           xFract="0.63353969"
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                           yFract="0.21478874"
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                           zFract="0.19607877"/>
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                           yFract="0.71638755"
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                           yFract="0.71735354"
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                           zFract="0.19594098"/>
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                           xFract="0.38290464"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                     <bond atomRefs2="a100 a111" order="S"/>
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                     <bond atomRefs2="a101 a112" order="S"/>
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                     <bond atomRefs2="a102 a197" order="S"/>
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                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
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                     <bond atomRefs2="a105 a199" order="S"/>
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                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
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                     <bond atomRefs2="a114 a115" order="S"/>
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                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
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                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.53">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
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                           y3="0.53067"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
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                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
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                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
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                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
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                           zFract="0.19594098"/>
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                           xFract="0.38290464"
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                           yFract="0.21658076"
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                           zFract="0.19611109"/>
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                           xFract="0.38199883"
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                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           yFract="0.96621607"
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                           zFract="0.19649627"/>
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                           yFract="0.46549614"
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                           y3="1.33926"
                           yFract="0.13107475"
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           yFract="0.38318465"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
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                           zFract="0.25157757"/>
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           zFract="0.24994299"/>
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                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           zFract="0.25004659"/>
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                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           yFract="0.29878851"
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                           y3="8.17334"
                           yFract="0.79993319"
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                           yFract="0.29640535"
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                           yFract="0.04931917"
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                           xFract="0.30003224"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                     <atom elementType="Au"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
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                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.58">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
                     <atom elementType="Au"
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           x3="1.78708"
                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           x3="9.14404"
                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           x3="6.19927"
                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
                     <atom elementType="Au"
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
                     <atom elementType="Au"
                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
                     <atom elementType="Au"
                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           id="a30"
                           x3="7.66238"
                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           x3="1.76888"
                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           id="a34"
                           x3="7.68213"
                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
                     <atom elementType="Au"
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
                           id="a51"
                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
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                           x3="1.76396"
                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
                           id="a54"
                           x3="6.19226"
                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
                           z3="14.44743"
                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
                           z3="14.45173"
                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
                           z3="39.62289"
                           zFract="0.82097508"/>
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                           x3="8.57291"
                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
                           z3="38.0942"
                           zFract="0.78930106"/>
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.63">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                     <bond atomRefs2="a94 a175" order="S"/>
                     <bond atomRefs2="a95 a96" order="S"/>
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
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                     <bond atomRefs2="a101 a193" order="S"/>
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                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
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                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
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                     <bond atomRefs2="a112 a220" order="S"/>
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                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
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                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
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                  <property dictRef="cml:molmass">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
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                           zFract="0.14021551"/>
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                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
                     <atom elementType="Au"
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
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                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
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                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           yFract="0.96621607"
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                           zFract="0.19649627"/>
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                           yFract="0.46607261"
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                           yFract="0.96523443"
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                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           y3="1.33926"
                           yFract="0.13107475"
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                           yFract="0.63308658"
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
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                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           zFract="0.25030372"/>
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                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           zFract="0.25004659"/>
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                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           xFract="0.80020102"
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                           yFract="0.29878851"
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                           yFract="0.79993319"
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                           y3="3.02853"
                           yFract="0.29640535"
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                           y3="0.50392"
                           yFract="0.04931917"
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                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
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                           xFract="0.3002482"
                           y3="5.64696"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
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                           zFract="0.299385"/>
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           xFract="0.73792885"
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                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="1.78708"
                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
                     <atom elementType="Au"
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
                     <atom elementType="Au"
                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
                     <atom elementType="Au"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
                           z3="14.45173"
                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
                           z3="14.48299"
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                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           zFract="0.29915211"/>
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                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           x3="8.57291"
                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
                           z3="38.0942"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                           y3="8.16268"
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                           yFract="0.21478874"
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                           yFract="0.5493677"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a92 a172" order="S"/>
                     <bond atomRefs2="a93 a174" order="S"/>
                     <bond atomRefs2="a93 a94" order="S"/>
                     <bond atomRefs2="a94 a147" order="S"/>
                     <bond atomRefs2="a94 a175" order="S"/>
                     <bond atomRefs2="a95 a96" order="S"/>
                     <bond atomRefs2="a95 a151" order="S"/>
                     <bond atomRefs2="a95 a177" order="S"/>
                     <bond atomRefs2="a96 a154" order="S"/>
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                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
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                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.77">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
                     <atom elementType="Au"
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
                     <atom elementType="Au"
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
                     <atom elementType="Au"
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                           x3="6.19618"
                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           x3="8.57291"
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                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.82">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                  <atomArray>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           zFract="0.13969979"/>
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                           xFract="0.29935345"
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                           yFract="0.54864835"
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                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
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                           x3="-2.64598"
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                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           x3="-1.16781"
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                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           zFract="0.25030372"/>
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                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
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                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           xFract="0.80020102"
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                           yFract="0.80045191"
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                           zFract="0.29946498"/>
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                           xFract="0.79972477"
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                           yFract="0.29878851"
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                           zFract="0.30046056"/>
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                           y3="8.17334"
                           yFract="0.79993319"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           y3="0.50392"
                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           xFract="0.30003224"
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                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           xFract="0.55202785"
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                           yFract="0.5523929"
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                           x3="-1.20828"
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                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
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                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
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                           y3="6.3646"
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                           xFract="0.73792885"
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                           xFract="0.82666254"
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                           yFract="0.200066"
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                           y3="5.94952"
                           yFract="0.58228564"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">120.0</scalar>
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                           y3="8.16268"
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                           zFract="0.13941283"/>
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                           yFract="0.96745708"
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                           y3="4.75926"
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                           yFract="0.38206305"
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                           yFract="0.04693014"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a95 a151" order="S"/>
                     <bond atomRefs2="a95 a177" order="S"/>
                     <bond atomRefs2="a96 a154" order="S"/>
                     <bond atomRefs2="a96 a178" order="S"/>
                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
                     <bond atomRefs2="a98 a182" order="S"/>
                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.89">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
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                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
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                           xFract="0.79972477"
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                           yFract="0.29878851"
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                           zFract="0.30046056"/>
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           xFract="0.7997467"
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                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
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                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
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                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.94">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           zFract="0.13969979"/>
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                           xFract="0.29935345"
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                           yFract="0.54864835"
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                           y3="0.51311"
                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           yFract="0.29914084"
                           z3="6.74843"
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           id="a23"
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
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                           zFract="0.19623914"/>
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                           xFract="0.38267621"
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                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           xFract="0.21792113"
                           y3="3.90663"
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                           z3="12.14194"
                           zFract="0.25157757"/>
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           zFract="0.25004659"/>
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                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           xFract="0.80020102"
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                           zFract="0.29946498"/>
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                           yFract="0.29878851"
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                           yFract="0.79993319"
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                           yFract="0.04931917"
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                           xFract="0.04732721"
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                           yFract="0.04693014"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           yFract="0.3009906"
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                     <bond atomRefs2="a109 a238" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           y3="8.16949"
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                           yFract="0.2999013"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           y3="0.50775"
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                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           yFract="0.80212453"
                           z3="6.75982"
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                           z3="6.74843"
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                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           y3="9.87846"
                           yFract="0.96681504"
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                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           y3="4.75926"
                           yFract="0.46579367"
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                           zFract="0.19643183"/>
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                           y3="7.33243"
                           yFract="0.71763247"
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                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           yFract="0.63487664"
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                           yFract="0.88222022"
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                           y3="3.89412"
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                           yFract="0.88289749"
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                           yFract="0.88324395"
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           yFract="0.13490445"
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                           y3="6.46367"
                           yFract="0.63260603"
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                           yFract="0.04931917"
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                           y3="5.64696"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           x3="-2.65301"
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                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           x3="-4.13597"
                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           zFract="0.29915211"/>
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                           x3="-1.20828"
                           xFract="0.04752606"
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                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
                     <bond atomRefs2="a98 a184" order="S"/>
                     <bond atomRefs2="a98 a109" order="S"/>
                     <bond atomRefs2="a98 a182" order="S"/>
                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.101">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
                     <atom elementType="Au"
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           x3="-1.16781"
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                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
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                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
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                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.106">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
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                           yFract="0.2999013"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.04969401"
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                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           zFract="0.13975719"/>
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                           yFract="0.80212453"
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                           xFract="0.55022923"
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                           yFract="0.80015634"
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                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
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                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
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                           yFract="0.71735354"
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                           zFract="0.19594098"/>
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                           xFract="0.38290464"
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                           yFract="0.21658076"
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                           zFract="0.19611109"/>
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                           xFract="0.38199883"
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                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           zFract="0.19649627"/>
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                           yFract="0.96523443"
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                           yFract="0.13107475"
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                           yFract="0.13193308"
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                           yFract="0.63487664"
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                           xFract="0.96735442"
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                           yFract="0.88376756"
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                           xFract="0.46526806"
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                           yFract="0.88222022"
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                           yFract="0.38112153"
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                           xFract="0.71593874"
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                           yFract="0.88324395"
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                           zFract="0.25008865"/>
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                           xFract="0.71672423"
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                           yFract="0.38206305"
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                           y3="1.37839"
                           yFract="0.13490445"
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                           x3="-1.18982"
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                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
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                     <bond atomRefs2="a108 a117" order="S"/>
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                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           zFract="0.13964945"/>
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                           yFract="0.2999013"
                           z3="6.72996"
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                           yFract="0.54921698"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           zFract="0.14009823"/>
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                           y3="0.50775"
                           yFract="0.04969401"
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                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           z3="6.74843"
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                           yFract="0.80015634"
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                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
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                           zFract="0.19643183"/>
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                           xFract="0.13320608"
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                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           y3="7.33243"
                           yFract="0.71763247"
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                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           yFract="0.71638755"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           yFract="0.13193308"
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                           y3="6.48687"
                           yFract="0.63487664"
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                           yFract="0.88222022"
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                           y3="3.89412"
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                           yFract="0.88289749"
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                           y3="3.90663"
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                           yFract="0.88324395"
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           y3="6.46367"
                           yFract="0.63260603"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
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                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           x3="-4.13597"
                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           x3="-1.20828"
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                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
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                           x3="1.77176"
                           xFract="0.54959811"
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.113">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           x3="1.76396"
                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
                           z3="14.44743"
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           zFract="0.29939536"/>
                     <atom elementType="Au"
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                           x3="6.19618"
                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                     <atom elementType="C"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
                           zFract="0.75263503"/>
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                           x3="-2.22184"
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                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
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                  <formula concise="C54H117Au64N3">
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.118">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                     <bond atomRefs2="a102 a197" order="S"/>
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                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
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                     <bond atomRefs2="a105 a199" order="S"/>
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                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
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                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
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                     <bond atomRefs2="a116 a207" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           zFract="0.13964945"/>
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                           yFract="0.2999013"
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                           yFract="0.54921698"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
                           z3="6.75982"
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           y3="7.33243"
                           yFract="0.71763247"
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
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                           zFract="0.19607877"/>
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                           yFract="0.71638755"
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                           yFract="0.2160963"
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                           yFract="0.71735354"
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                           xFract="0.38290464"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           y3="6.48687"
                           yFract="0.63487664"
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                           yFract="0.88222022"
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                           y3="3.89412"
                           yFract="0.38112153"
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                           yFract="0.88289749"
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                           y3="3.90663"
                           yFract="0.3823459"
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                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
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                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           zFract="0.24994299"/>
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                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           y3="6.46367"
                           yFract="0.63260603"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           yFract="0.63329015"
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                           yFract="0.29878851"
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                           yFract="0.79993319"
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                           yFract="0.04931917"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           x3="-2.65301"
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                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           x3="-4.13597"
                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
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                           x3="-1.20828"
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                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
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                           xFract="0.15668372"
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                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.125">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                  <atomArray>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           x3="1.78708"
                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           x3="6.19927"
                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           x3="3.25522"
                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
                     <atom elementType="Au"
                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
                     <atom elementType="Au"
                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           id="a30"
                           x3="7.66238"
                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
                     <atom elementType="Au"
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                           x3="1.76888"
                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
                     <atom elementType="Au"
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                           x3="7.68213"
                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
                     <atom elementType="Au"
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
                           id="a37"
                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
                           z3="14.44743"
                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
                     <atom elementType="Au"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
                           z3="14.45173"
                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
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                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
                           z3="39.62289"
                           zFract="0.82097508"/>
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           zFract="0.78930106"/>
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
                           zFract="0.75263503"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.130">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                     <bond atomRefs2="a93 a94" order="S"/>
                     <bond atomRefs2="a94 a147" order="S"/>
                     <bond atomRefs2="a94 a175" order="S"/>
                     <bond atomRefs2="a95 a96" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
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                     <bond atomRefs2="a101 a112" order="S"/>
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                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
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                     <bond atomRefs2="a112 a220" order="S"/>
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                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
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                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.132">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                     <atom elementType="Au"
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
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                           zFract="0.14021551"/>
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                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
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                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           xFract="0.88322041"
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                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           yFract="0.46607261"
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                           yFract="0.96523443"
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                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           y3="1.33926"
                           yFract="0.13107475"
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           zFract="0.25030372"/>
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                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           zFract="0.2500325"/>
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                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           xFract="0.79972477"
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                           yFract="0.29878851"
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                           y3="8.17334"
                           yFract="0.79993319"
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                           y3="3.02853"
                           yFract="0.29640535"
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                           y3="0.50392"
                           yFract="0.04931917"
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                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           zFract="0.29939536"/>
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
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                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.137">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
                           id="a4"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           x3="6.19927"
                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           x3="1.76888"
                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
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                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
                     <atom elementType="Au"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           zFract="0.29915211"/>
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                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">120.0</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                     <bond atomRefs2="a92 a172" order="S"/>
                     <bond atomRefs2="a93 a174" order="S"/>
                     <bond atomRefs2="a93 a94" order="S"/>
                     <bond atomRefs2="a94 a147" order="S"/>
                     <bond atomRefs2="a94 a175" order="S"/>
                     <bond atomRefs2="a95 a96" order="S"/>
                     <bond atomRefs2="a95 a151" order="S"/>
                     <bond atomRefs2="a95 a177" order="S"/>
                     <bond atomRefs2="a96 a154" order="S"/>
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                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
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                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.144">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                     <atom elementType="Au"
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
                     <atom elementType="Au"
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
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                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
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                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           xFract="0.7997467"
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                           yFract="0.54979638"
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
                           z3="14.45173"
                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
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                           x3="6.19618"
                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           x3="8.57291"
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                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.149">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
                     <atom elementType="Au"
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           xFract="0.29935345"
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                           yFract="0.54864835"
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
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                           zFract="0.14021551"/>
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                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           zFract="0.25030372"/>
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                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           zFract="0.2500325"/>
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                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           xFract="0.80020102"
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                           yFract="0.80045191"
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                           zFract="0.29946498"/>
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                           xFract="0.79972477"
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                           yFract="0.29878851"
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
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                           xFract="0.2977138"
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                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           yFract="0.54979638"
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                           xFract="0.30003224"
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                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           yFract="0.5523929"
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                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
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                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
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                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
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                           y3="6.3646"
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                           xFract="0.82666254"
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                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           z3="6.74843"
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                           yFract="0.80015634"
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                           zFract="0.13991756"/>
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                           y3="3.05055"
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                           zFract="0.13987798"/>
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                           yFract="0.96681504"
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                           yFract="0.46534836"
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                           y3="9.88502"
                           yFract="0.96745708"
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                           y3="4.75926"
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                           yFract="0.71763247"
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                           yFract="0.63487664"
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                           yFract="0.38206305"
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                     <atom elementType="Au"
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                           yFract="0.04693014"
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                           yFract="0.5493677"
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                           y3="5.64409"
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a95 a151" order="S"/>
                     <bond atomRefs2="a95 a177" order="S"/>
                     <bond atomRefs2="a96 a154" order="S"/>
                     <bond atomRefs2="a96 a178" order="S"/>
                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
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                     <bond atomRefs2="a98 a109" order="S"/>
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                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.156">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
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                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
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                           yFract="0.13107475"
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
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                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
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                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
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                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.161">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                  <atomArray>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           y3="0.53067"
                           yFract="0.05193722"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           zFract="0.13969979"/>
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                           yFract="0.54864835"
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                           y3="0.51311"
                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
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                           zFract="0.14006156"/>
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                           yFract="0.29914084"
                           z3="6.74843"
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
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                           zFract="0.19623914"/>
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                           xFract="0.38267621"
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                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
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                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           zFract="0.25004659"/>
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                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           zFract="0.25000929"/>
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                           xFract="0.80020102"
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                           yFract="0.29878851"
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                           yFract="0.79993319"
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                           yFract="0.04931917"
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                           zFract="0.29947824"/>
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                           xFract="0.04732721"
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                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
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                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.3009906"
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                     <bond atomRefs2="a108 a117" order="S"/>
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                     <bond atomRefs2="a109 a238" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
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                     <atom elementType="Au"
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                           yFract="0.2999013"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           yFract="0.54798674"
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                           y3="0.50775"
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                           z3="6.72851"
                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           z3="6.75982"
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                           y3="3.05648"
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                           z3="6.74843"
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                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
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                           zFract="0.19629487"/>
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                           y3="4.75926"
                           yFract="0.46579367"
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                           zFract="0.19643183"/>
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                           yFract="0.71763247"
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                           yFract="0.21478874"
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                           zFract="0.19607877"/>
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           yFract="0.63487664"
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                           yFract="0.88222022"
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                           y3="3.89412"
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                           yFract="0.88289749"
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                           y3="3.90663"
                           yFract="0.3823459"
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                           xFract="0.71593874"
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                           yFract="0.88324395"
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           yFract="0.13490445"
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                           y3="6.46367"
                           yFract="0.63260603"
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                           yFract="0.29640535"
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                           yFract="0.04931917"
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                           yFract="0.0465641"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
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                           yFract="0.5493677"
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                           xFract="0.54982273"
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                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           x3="-4.13597"
                           xFract="0.04895019"
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                           yFract="0.79902006"
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                           x3="-1.20828"
                           xFract="0.04752606"
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                     <bond atomRefs2="a97 a180" order="S"/>
                     <bond atomRefs2="a97 a159" order="S"/>
                     <bond atomRefs2="a97 a119" order="S"/>
                     <bond atomRefs2="a98 a183" order="S"/>
                     <bond atomRefs2="a98 a184" order="S"/>
                     <bond atomRefs2="a98 a109" order="S"/>
                     <bond atomRefs2="a98 a182" order="S"/>
                     <bond atomRefs2="a99 a110" order="S"/>
                     <bond atomRefs2="a99 a187" order="S"/>
                     <bond atomRefs2="a99 a185" order="S"/>
                     <bond atomRefs2="a99 a109" order="S"/>
                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.168">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
                     <atom elementType="Au"
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
                     <atom elementType="Au"
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
                     <atom elementType="Au"
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
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                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
                     <atom elementType="Au"
                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
                     <atom elementType="Au"
                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           x3="-1.16781"
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                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
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                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
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                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
                     <atom elementType="Au"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
                           z3="39.62289"
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                           x3="8.57291"
                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
                           z3="38.0942"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
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                           x3="9.22387"
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                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
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               <molecule id="calculation.position.173">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           xFract="0.80224628"
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                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                           yFract="0.2999013"
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                           yFract="0.54921698"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           yFract="0.0502186"
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                           yFract="0.04969401"
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                           zFract="0.13941283"/>
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                           yFract="0.54951451"
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                           zFract="0.13975719"/>
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                           yFract="0.80212453"
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                           yFract="0.80015634"
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                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
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                           zFract="0.13987798"/>
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                           xFract="0.13322231"
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                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
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                           yFract="0.71735354"
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                           zFract="0.19594098"/>
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                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
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                           zFract="0.19611109"/>
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                           xFract="0.38199883"
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                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           yFract="0.96621607"
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                           zFract="0.19649627"/>
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                           yFract="0.96523443"
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                           yFract="0.46549614"
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                           yFract="0.13107475"
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                           yFract="0.63308658"
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           xFract="0.96735442"
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                           yFract="0.88376756"
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                           xFract="0.46526806"
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                           yFract="0.88222022"
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                           yFract="0.38112153"
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                           xFract="0.21745667"
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                           yFract="0.88289749"
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                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
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                           zFract="0.25008865"/>
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                           xFract="0.71672423"
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                           yFract="0.38206305"
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                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
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                           x3="-1.18982"
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                           y3="6.46367"
                           yFract="0.63260603"
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                           xFract="0.71781758"
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                           xFract="0.80020102"
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                           xFract="0.04732721"
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                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
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                     <bond atomRefs2="a116 a207" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
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                           y3="0.53067"
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                           yFract="0.54921698"
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                           yFract="0.05080191"
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                           yFract="0.54864835"
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                           y3="0.51311"
                           yFract="0.0502186"
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                           y3="5.59907"
                           yFract="0.54798674"
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                           zFract="0.14009823"/>
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                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           yFract="0.80212453"
                           z3="6.75982"
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                           z3="6.74843"
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
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                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           y3="7.33243"
                           yFract="0.71763247"
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                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           yFract="0.71638755"
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                           xFract="0.38290464"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                           zFract="0.19649627"/>
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                           yFract="0.13193308"
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                           y3="6.48687"
                           yFract="0.63487664"
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                           xFract="0.96735442"
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                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
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                           y3="9.02103"
                           yFract="0.88289749"
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                           y3="3.90663"
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                           xFract="0.71593874"
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                           yFract="0.88324395"
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
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                           xFract="0.21705065"
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                           yFract="0.13490445"
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                           yFract="0.63260603"
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                           yFract="0.29878851"
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                           yFract="0.29640535"
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                           yFract="0.04931917"
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                           yFract="0.54979638"
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                           yFract="0.0465641"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
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                           yFract="0.5493677"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
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                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
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                           yFract="0.79902006"
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                     <atom elementType="Au"
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                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
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                           x3="1.77176"
                           xFract="0.54959811"
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
                     <bond atomRefs2="a101 a191" order="S"/>
                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.180">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
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                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
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                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
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                           zFract="0.13989642"/>
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
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                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
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                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
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                           zFract="0.24997117"/>
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                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
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                           zFract="0.24956278"/>
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
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                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
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                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
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                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
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                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
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                           zFract="0.30046056"/>
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                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
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                           xFract="0.7997467"
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                           yFract="0.54979638"
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           zFract="0.29973288"/>
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
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                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
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                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
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                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.185">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           yFract="0.30106499"
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                           yFract="0.96745708"
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                           zFract="0.19629487"/>
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                           y3="4.75926"
                           yFract="0.46579367"
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                           yFract="0.2166062"
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                           zFract="0.19663219"/>
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                           yFract="0.71763247"
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                           yFract="0.21478874"
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                           zFract="0.19607877"/>
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                           yFract="0.71638755"
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                           yFract="0.71735354"
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                           yFract="0.21658076"
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                           yFract="0.7168955"
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                     <bond atomRefs2="a100 a111" order="S"/>
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                     <bond atomRefs2="a101 a112" order="S"/>
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                     <bond atomRefs2="a102 a197" order="S"/>
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                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
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                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
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                     <bond atomRefs2="a114 a115" order="S"/>
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                     <bond atomRefs2="a115 a204" order="S"/>
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                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.187">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           y3="0.53067"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           y3="0.51907"
                           yFract="0.05080191"
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                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
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                           zFract="0.14005617"/>
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                           y3="0.51311"
                           yFract="0.0502186"
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                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
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                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           y3="7.31971"
                           yFract="0.71638755"
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                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
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                           zFract="0.19594098"/>
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                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
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                           zFract="0.19611109"/>
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                           xFract="0.38199883"
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                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           yFract="0.96621607"
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                           zFract="0.19649627"/>
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                           yFract="0.46549614"
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                           yFract="0.13107475"
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                           yFract="0.63308658"
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
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                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           y3="3.9152"
                           yFract="0.38318465"
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                           xFract="0.46526806"
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                           yFract="0.88222022"
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                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
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                           x3="-1.18982"
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                           y3="6.46367"
                           yFract="0.63260603"
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                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
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                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           xFract="0.80020102"
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                           yFract="0.29878851"
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                           y3="8.17334"
                           yFract="0.79993319"
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                           yFract="0.29640535"
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                           xFract="0.79952027"
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                           yFract="0.04931917"
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                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                     <atom elementType="Au"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
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                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
                     <bond atomRefs2="a112 a221" order="S"/>
                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <formula concise="C54H117Au64N3">
                     <atomArray count="54 117 64 3" elementType="C H Au N"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.192">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">11.798185349</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
                  </crystal>
                  <atomArray>
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                           x3="4.72772"
                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           x3="7.68904"
                           xFract="0.80224628"
                           y3="3.07614"
                           yFract="0.30106499"
                           z3="6.73993"
                           zFract="0.13964945"/>
                     <atom elementType="Au"
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                           x3="-1.19127"
                           xFract="0.29880758"
                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
                           zFract="0.13937056"/>
                     <atom elementType="Au"
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                           x3="1.78708"
                           xFract="0.3014214"
                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
                     <atom elementType="Au"
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
                           z3="6.74585"
                           zFract="0.13977211"/>
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                           x3="6.19927"
                           xFract="0.80005116"
                           y3="5.61164"
                           yFract="0.54921698"
                           z3="6.75185"
                           zFract="0.13989642"/>
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                           x3="3.25522"
                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
                     <atom elementType="Au"
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           x3="0.28716"
                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           x3="-2.64598"
                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           x3="6.19542"
                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="3.2398"
                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           x3="-4.12716"
                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           x3="-1.19215"
                           xFract="0.04852522"
                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="1.77151"
                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
                           id="a17"
                           x3="-4.13155"
                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
                     <atom elementType="Au"
                           id="a18"
                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
                           id="a19"
                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
                           id="a21"
                           x3="0.29381"
                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
                     <atom elementType="Au"
                           id="a22"
                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
                           id="a23"
                           x3="6.20756"
                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
                     <atom elementType="Au"
                           id="a24"
                           x3="3.24454"
                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
                     <atom elementType="Au"
                           id="a25"
                           x3="9.14149"
                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
                     <atom elementType="Au"
                           id="a26"
                           x3="6.19737"
                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
                     <atom elementType="Au"
                           id="a27"
                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
                     <atom elementType="Au"
                           id="a28"
                           x3="0.27786"
                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
                           z3="9.48177"
                           zFract="0.1964596"/>
                     <atom elementType="Au"
                           id="a29"
                           x3="4.7206"
                           xFract="0.88322041"
                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           id="a30"
                           x3="7.66238"
                           xFract="0.88249042"
                           y3="4.76211"
                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           id="a31"
                           x3="-1.16781"
                           xFract="0.38363504"
                           y3="9.86231"
                           yFract="0.96523443"
                           z3="9.47113"
                           zFract="0.19623914"/>
                     <atom elementType="Au"
                           id="a32"
                           x3="1.76888"
                           xFract="0.38267621"
                           y3="4.75622"
                           yFract="0.46549614"
                           z3="9.4502"
                           zFract="0.19580547"/>
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                           x3="10.60967"
                           xFract="0.96480025"
                           y3="1.33926"
                           yFract="0.13107475"
                           z3="12.06441"
                           zFract="0.24997117"/>
                     <atom elementType="Au"
                           id="a34"
                           x3="7.68213"
                           xFract="0.96767139"
                           y3="6.46858"
                           yFract="0.63308658"
                           z3="12.0447"
                           zFract="0.24956278"/>
                     <atom elementType="Au"
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                           x3="4.72834"
                           xFract="0.46673495"
                           y3="1.34803"
                           yFract="0.13193308"
                           z3="12.07359"
                           zFract="0.25016137"/>
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                           id="a36"
                           x3="1.75315"
                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
                     <atom elementType="Au"
                           id="a37"
                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
                           z3="12.06902"
                           zFract="0.25006668"/>
                     <atom elementType="Au"
                           id="a38"
                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
                           zFract="0.25018334"/>
                     <atom elementType="Au"
                           id="a39"
                           x3="0.28502"
                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
                           z3="12.08046"
                           zFract="0.25030372"/>
                     <atom elementType="Au"
                           id="a40"
                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
                     <atom elementType="Au"
                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
                           z3="12.06737"
                           zFract="0.2500325"/>
                     <atom elementType="Au"
                           id="a42"
                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
                     <atom elementType="Au"
                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
                     <atom elementType="Au"
                           id="a44"
                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
                     <atom elementType="Au"
                           id="a45"
                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
                           id="a46"
                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
                           id="a47"
                           x3="7.67846"
                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
                     <atom elementType="Au"
                           id="a48"
                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
                           z3="12.06625"
                           zFract="0.25000929"/>
                     <atom elementType="Au"
                           id="a49"
                           x3="4.71898"
                           xFract="0.80020102"
                           y3="8.17864"
                           yFract="0.80045191"
                           z3="14.45314"
                           zFract="0.29946498"/>
                     <atom elementType="Au"
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                           x3="7.67272"
                           xFract="0.79972477"
                           y3="3.05288"
                           yFract="0.29878851"
                           z3="14.50119"
                           zFract="0.30046056"/>
                     <atom elementType="Au"
                           id="a51"
                           x3="-1.17471"
                           xFract="0.30039959"
                           y3="8.17334"
                           yFract="0.79993319"
                           z3="14.49039"
                           zFract="0.30023679"/>
                     <atom elementType="Au"
                           id="a52"
                           x3="1.76396"
                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           zFract="0.30180858"/>
                     <atom elementType="Au"
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                           x3="9.14195"
                           xFract="0.79952027"
                           y3="0.50392"
                           yFract="0.04931917"
                           z3="14.45378"
                           zFract="0.29947824"/>
                     <atom elementType="Au"
                           id="a54"
                           x3="6.19226"
                           xFract="0.7997467"
                           y3="5.61756"
                           yFract="0.54979638"
                           z3="14.44743"
                           zFract="0.29934667"/>
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                           x3="3.26515"
                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
                           z3="14.46607"
                           zFract="0.29973288"/>
                     <atom elementType="Au"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
                           z3="14.45173"
                           zFract="0.29943576"/>
                     <atom elementType="Au"
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                           x3="0.28153"
                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
                           z3="14.48299"
                           zFract="0.30008346"/>
                     <atom elementType="Au"
                           id="a58"
                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
                           z3="14.44978"
                           zFract="0.29939536"/>
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                           x3="6.19618"
                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
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                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
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                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
                           z3="14.43804"
                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
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                           id="a63"
                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
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                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
                           y3="1.1845"
                           yFract="0.11592823"
                           z3="39.62289"
                           zFract="0.82097508"/>
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                           x3="8.57291"
                           xFract="0.82666254"
                           y3="2.04418"
                           yFract="0.200066"
                           z3="38.0942"
                           zFract="0.78930106"/>
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                           x3="-2.12468"
                           xFract="0.1110575"
                           y3="5.94952"
                           yFract="0.58228564"
                           z3="36.32458"
                           zFract="0.75263503"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.197">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                     <bond atomRefs2="a95 a96" order="S"/>
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                     <bond atomRefs2="a100 a188" order="S"/>
                     <bond atomRefs2="a100 a111" order="S"/>
                     <bond atomRefs2="a100 a190" order="S"/>
                     <bond atomRefs2="a100 a110" order="S"/>
                     <bond atomRefs2="a101 a193" order="S"/>
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                     <bond atomRefs2="a101 a112" order="S"/>
                     <bond atomRefs2="a101 a111" order="S"/>
                     <bond atomRefs2="a102 a112" order="S"/>
                     <bond atomRefs2="a102 a197" order="S"/>
                     <bond atomRefs2="a102 a195" order="S"/>
                     <bond atomRefs2="a102 a113" order="S"/>
                     <bond atomRefs2="a103 a104" order="S"/>
                     <bond atomRefs2="a104 a198" order="S"/>
                     <bond atomRefs2="a104 a142" order="S"/>
                     <bond atomRefs2="a105 a199" order="S"/>
                     <bond atomRefs2="a105 a200" order="S"/>
                     <bond atomRefs2="a105 a113" order="S"/>
                     <bond atomRefs2="a106 a203" order="S"/>
                     <bond atomRefs2="a106 a201" order="S"/>
                     <bond atomRefs2="a107 a115" order="S"/>
                     <bond atomRefs2="a107 a116" order="S"/>
                     <bond atomRefs2="a107 a226" order="S"/>
                     <bond atomRefs2="a107 a206" order="S"/>
                     <bond atomRefs2="a108 a229" order="S"/>
                     <bond atomRefs2="a108 a118" order="S"/>
                     <bond atomRefs2="a108 a117" order="S"/>
                     <bond atomRefs2="a108 a211" order="S"/>
                     <bond atomRefs2="a109 a238" order="S"/>
                     <bond atomRefs2="a109 a215" order="S"/>
                     <bond atomRefs2="a110 a216" order="S"/>
                     <bond atomRefs2="a110 a217" order="S"/>
                     <bond atomRefs2="a111 a218" order="S"/>
                     <bond atomRefs2="a111 a219" order="S"/>
                     <bond atomRefs2="a112 a220" order="S"/>
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                     <bond atomRefs2="a113 a223" order="S"/>
                     <bond atomRefs2="a113 a222" order="S"/>
                     <bond atomRefs2="a114 a115" order="S"/>
                     <bond atomRefs2="a114 a224" order="S"/>
                     <bond atomRefs2="a114 a202" order="S"/>
                     <bond atomRefs2="a115 a204" order="S"/>
                     <bond atomRefs2="a115 a225" order="S"/>
                     <bond atomRefs2="a116 a207" order="S"/>
                     <bond atomRefs2="a116 a117" order="S"/>
                     <bond atomRefs2="a117 a228" order="S"/>
                     <bond atomRefs2="a117 a209" order="S"/>
                     <bond atomRefs2="a118 a230" order="S"/>
                     <bond atomRefs2="a119 a163" order="S"/>
                     <bond atomRefs2="a119 a181" order="S"/>
                     <bond atomRefs2="a120 a164" order="S"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">13296.457100000023</scalar>
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               <molecule id="calculation.position.199">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">11.798185348064651</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">48.263206482</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">120.0</scalar>
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                           xFract="0.80016081"
                           y3="8.16268"
                           yFract="0.79888989"
                           z3="6.7132"
                           zFract="0.13909561"/>
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                           yFract="0.30106499"
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                           zFract="0.13964945"/>
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                           y3="8.16949"
                           yFract="0.79955639"
                           z3="6.72647"
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                           y3="3.06425"
                           yFract="0.2999013"
                           z3="6.72996"
                           zFract="0.13944287"/>
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                           xFract="0.80100644"
                           y3="0.53067"
                           yFract="0.05193722"
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                           xFract="0.80005116"
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                           yFract="0.54921698"
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                           xFract="0.30130949"
                           y3="0.51907"
                           yFract="0.05080191"
                           z3="6.74236"
                           zFract="0.13969979"/>
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                           xFract="0.29935345"
                           y3="5.60583"
                           yFract="0.54864835"
                           z3="6.75956"
                           zFract="0.14005617"/>
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                           xFract="0.04944864"
                           y3="0.51311"
                           yFract="0.0502186"
                           z3="6.76725"
                           zFract="0.14021551"/>
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                           xFract="0.04972329"
                           y3="5.59907"
                           yFract="0.54798674"
                           z3="6.76159"
                           zFract="0.14009823"/>
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                           xFract="0.54996336"
                           y3="0.50775"
                           yFract="0.04969401"
                           z3="6.72851"
                           zFract="0.13941283"/>
                     <atom elementType="Au"
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                           xFract="0.54935881"
                           y3="5.61468"
                           yFract="0.54951451"
                           z3="6.74513"
                           zFract="0.13975719"/>
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                           xFract="0.05124915"
                           y3="8.19573"
                           yFract="0.80212453"
                           z3="6.75982"
                           zFract="0.14006156"/>
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                           y3="3.05648"
                           yFract="0.29914084"
                           z3="6.74843"
                           zFract="0.13982556"/>
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                           xFract="0.55022923"
                           y3="8.17562"
                           yFract="0.80015634"
                           z3="6.75287"
                           zFract="0.13991756"/>
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                           x3="4.70991"
                           xFract="0.54848654"
                           y3="3.05055"
                           yFract="0.29856047"
                           z3="6.75096"
                           zFract="0.13987798"/>
                     <atom elementType="Au"
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                           xFract="0.13322231"
                           y3="9.87846"
                           yFract="0.96681504"
                           z3="9.5189"
                           zFract="0.19722892"/>
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                           x3="-1.16635"
                           xFract="0.13381576"
                           y3="4.75471"
                           yFract="0.46534836"
                           z3="9.51027"
                           zFract="0.19705011"/>
                     <atom elementType="Au"
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                           x3="1.76004"
                           xFract="0.63290741"
                           y3="9.88502"
                           yFract="0.96745708"
                           z3="9.47382"
                           zFract="0.19629487"/>
                     <atom elementType="Au"
                           id="a20"
                           x3="4.72309"
                           xFract="0.63322026"
                           y3="4.75926"
                           yFract="0.46579367"
                           z3="9.48043"
                           zFract="0.19643183"/>
                     <atom elementType="Au"
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                           xFract="0.13320608"
                           y3="2.21318"
                           yFract="0.2166062"
                           z3="9.4901"
                           zFract="0.19663219"/>
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                           x3="-2.64219"
                           xFract="0.13486739"
                           y3="7.33243"
                           yFract="0.71763247"
                           z3="9.45337"
                           zFract="0.19587116"/>
                     <atom elementType="Au"
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                           xFract="0.63353969"
                           y3="2.19461"
                           yFract="0.21478874"
                           z3="9.46339"
                           zFract="0.19607877"/>
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                           xFract="0.63319708"
                           y3="7.31971"
                           yFract="0.71638755"
                           z3="9.44627"
                           zFract="0.19572405"/>
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                           xFract="0.88286985"
                           y3="2.20797"
                           yFract="0.2160963"
                           z3="9.50208"
                           zFract="0.19688041"/>
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                           xFract="0.8839584"
                           y3="7.32958"
                           yFract="0.71735354"
                           z3="9.45674"
                           zFract="0.19594098"/>
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                           x3="3.23995"
                           xFract="0.38290464"
                           y3="2.21292"
                           yFract="0.21658076"
                           z3="9.46495"
                           zFract="0.19611109"/>
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                           xFract="0.38199883"
                           y3="7.3249"
                           yFract="0.7168955"
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                           zFract="0.1964596"/>
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                           y3="9.87234"
                           yFract="0.96621607"
                           z3="9.48354"
                           zFract="0.19649627"/>
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                           yFract="0.46607261"
                           z3="9.44874"
                           zFract="0.19577522"/>
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                           yFract="0.96523443"
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                           xFract="0.38267621"
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                           yFract="0.46549614"
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                           zFract="0.19580547"/>
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                           y3="1.33926"
                           yFract="0.13107475"
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                           xFract="0.96767139"
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                           yFract="0.63308658"
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                           xFract="0.46673495"
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                           yFract="0.13193308"
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                           zFract="0.25016137"/>
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                           xFract="0.46603321"
                           y3="6.48687"
                           yFract="0.63487664"
                           z3="12.06345"
                           zFract="0.24995128"/>
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                           x3="6.1996"
                           xFract="0.96735442"
                           y3="9.02992"
                           yFract="0.88376756"
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                           zFract="0.25006668"/>
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                           x3="9.13919"
                           xFract="0.96621908"
                           y3="3.9152"
                           yFract="0.38318465"
                           z3="12.07465"
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                           xFract="0.46526806"
                           y3="9.01411"
                           yFract="0.88222022"
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                           x3="3.2409"
                           xFract="0.46525555"
                           y3="3.89412"
                           yFract="0.38112153"
                           z3="12.12438"
                           zFract="0.25121373"/>
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                           id="a41"
                           x3="-2.6427"
                           xFract="0.21745667"
                           y3="9.02103"
                           yFract="0.88289749"
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                           x3="0.31558"
                           xFract="0.21792113"
                           y3="3.90663"
                           yFract="0.3823459"
                           z3="12.14194"
                           zFract="0.25157757"/>
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                           id="a43"
                           x3="3.23644"
                           xFract="0.71593874"
                           y3="9.02457"
                           yFract="0.88324395"
                           z3="12.07008"
                           zFract="0.25008865"/>
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                           x3="6.20222"
                           xFract="0.71672423"
                           y3="3.90374"
                           yFract="0.38206305"
                           z3="12.06305"
                           zFract="0.24994299"/>
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                           x3="1.76499"
                           xFract="0.21705065"
                           y3="1.37839"
                           yFract="0.13490445"
                           z3="12.15122"
                           zFract="0.25176984"/>
                     <atom elementType="Au"
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                           x3="-1.18982"
                           xFract="0.2154553"
                           y3="6.46367"
                           yFract="0.63260603"
                           z3="12.0544"
                           zFract="0.24976376"/>
                     <atom elementType="Au"
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                           xFract="0.71781758"
                           y3="1.36916"
                           yFract="0.1340011"
                           z3="12.06805"
                           zFract="0.25004659"/>
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                           x3="4.73255"
                           xFract="0.71777032"
                           y3="6.47066"
                           yFract="0.63329015"
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                           xFract="0.80020102"
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                           yFract="0.80045191"
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                           yFract="0.29878851"
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                           y3="8.17334"
                           yFract="0.79993319"
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                           xFract="0.2977138"
                           y3="3.02853"
                           yFract="0.29640535"
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                           y3="0.50392"
                           yFract="0.04931917"
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                           yFract="0.54979638"
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                           xFract="0.30003224"
                           y3="0.47577"
                           yFract="0.0465641"
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                           xFract="0.3002482"
                           y3="5.64696"
                           yFract="0.55267378"
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                     <atom elementType="Au"
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                           xFract="0.04732721"
                           y3="0.47951"
                           yFract="0.04693014"
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                           zFract="0.30008346"/>
                     <atom elementType="Au"
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                           x3="-2.65301"
                           xFract="0.04981791"
                           y3="5.61318"
                           yFract="0.5493677"
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                     <atom elementType="Au"
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                           xFract="0.54982273"
                           y3="0.50356"
                           yFract="0.04928394"
                           z3="14.44928"
                           zFract="0.299385"/>
                     <atom elementType="Au"
                           id="a60"
                           x3="3.25431"
                           xFract="0.55202785"
                           y3="5.64409"
                           yFract="0.5523929"
                           z3="14.42491"
                           zFract="0.29888006"/>
                     <atom elementType="Au"
                           id="a61"
                           x3="-4.13597"
                           xFract="0.04895019"
                           y3="8.16401"
                           yFract="0.79902006"
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                           zFract="0.29915211"/>
                     <atom elementType="Au"
                           id="a62"
                           x3="-1.20828"
                           xFract="0.04752606"
                           y3="3.0640"
                           yFract="0.29987683"
                           z3="14.43667"
                           zFract="0.29912372"/>
                     <atom elementType="Au"
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                           x3="1.77176"
                           xFract="0.54959811"
                           y3="8.16229"
                           yFract="0.79885172"
                           z3="14.4681"
                           zFract="0.29977494"/>
                     <atom elementType="Au"
                           id="a64"
                           x3="4.75502"
                           xFract="0.55352508"
                           y3="3.07538"
                           yFract="0.3009906"
                           z3="14.45381"
                           zFract="0.29947886"/>
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                           x3="-1.82602"
                           xFract="0.15668372"
                           y3="6.3646"
                           yFract="0.62290995"
                           z3="38.97076"
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                           x3="8.02235"
                           xFract="0.73792885"
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               <formula concise="C54H117Au64N3">
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               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">13296.457100000023</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
